4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-5,7-dimethyl-2-quinolinyl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-5,7-dimethylquinolin-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carbothioamide Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=S)NC4=CC=C(C=C4)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=S)NC4=CC=C(C=C4)OC)C#N)C

InChI

InChI=1S/C25H27N5OS/c1-17-13-18(2)22-15-19(16-26)24(28-23(22)14-17)29-9-4-10-30(12-11-29)25(32)27-20-5-7-21(31-3)8-6-20/h5-8,13-15H,4,9-12H2,1-3H3,(H,27,32)