N-[3-(azepan-1-yl)propyl]-3-(4-chlorophenyl)sulfanyl-6-methoxy-1H-indole-2-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-3-(4-chlorophenyl)sulfanyl-6-methoxy-1H-indole-2-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-3-(4-chlorophenyl)sulfanyl-6-methoxy-1H-indole-2-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-3-[(4-chlorophenyl)thio]-6-methoxy-1H-indole-2-carboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-3-(4-chlorophenyl)sulfanyl-6-methoxy-1H-indole-2-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)thio]-6-methoxy-1H-indole-2-carboxamide Formula: C25H30ClN3O2S MolecularWeight: 472.0426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)NCCCN3CCCCCC3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)NCCCN3CCCCCC3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H30ClN3O2S/c1-31-19-9-12-21-22(17-19)28-23(24(21)32-20-10-7-18(26)8-11-20)25(30)27-13-6-16-29-14-4-2-3-5-15-29/h7-12,17,28H,2-6,13-16H2,1H3,(H,27,30)