ethyl 1,1-dimethyl-3-[(3-methylsulfanylphenyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 1,1-dimethyl-3-[(3-methylsulfanylphenyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 1,1-dimethyl-3-[(3-methylsulfanylphenyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[[3-(methylthio)anilino]-oxomethyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,1-dimethyl-3-[(3-methylsulfanylphenyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-[[3-(methylthio)phenyl]carbamoyl]-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H27N3O3S/c1-5-31-23(29)19-14-28(24(30)26-16-9-8-10-17(13-16)32-4)15-25(2,3)21-18-11-6-7-12-20(18)27-22(19)21/h6-14,27H,5,15H2,1-4H3,(H,26,30)