4-(1-ethylindol-5-yl)sulfonyl-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(1-ethyl-5-indolyl)sulfonyl]-N-[3-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(1-ethylindol-5-yl)sulfonyl-N-[3-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C23H28N4O3S2/c1-3-25-13-10-18-16-21(8-9-22(18)25)32(29,30)27-12-5-11-26(14-15-27)23(28)24-19-6-4-7-20(17-19)31-2/h4,6-10,13,16-17H,3,5,11-12,14-15H2,1-2H3,(H,24,28)