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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(3-methyl-2-thienyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(3-methyl-2-thiophenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-7,7-dimethyl-4-(3-methyl-2-thienyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(m-tolyl)acetamide Formula: C28H28N6O2S3 MolecularWeight: 576.75592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=C(C=CS5)C)C(=O)CC(C4)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=C(C=CS5)C)C(=O)CC(C4)(C)C

InChI

InChI=1S/C28H28N6O2S3/c1-15-6-5-7-17(10-15)31-21(36)14-38-27-33-32-26(39-27)34-19-11-28(3,4)12-20(35)23(19)22(18(13-29)25(34)30)24-16(2)8-9-37-24/h5-10,22H,11-12,14,30H2,1-4H3,(H,31,36)