2-[[5-[2-azanyl-3-cyano-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(5-methyl-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(5-methyl-2-thiophenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-7,7-dimethyl-4-(5-methyl-2-thienyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3,4-dimethylphenyl)acetamide Formula: C29H30N6O2S3 MolecularWeight: 590.7825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(S5)C)C(=O)CC(C4)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(S5)C)C(=O)CC(C4)(C)C)C

InChI

InChI=1S/C29H30N6O2S3/c1-15-6-8-18(10-16(15)2)32-23(37)14-38-28-34-33-27(40-28)35-20-11-29(4,5)12-21(36)25(20)24(19(13-30)26(35)31)22-9-7-17(3)39-22/h6-10,24H,11-12,14,31H2,1-5H3,(H,32,37)