6-[[(4-methoxy-3-phenylmethoxy-phenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[(4-methoxy-3-phenylmethoxy-phenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(3-benzyloxy-4-methoxy-phenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(4-methoxy-3-phenylmethoxyphenyl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(4-methoxy-3-phenylmethoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(3-benzoxy-4-methoxy-benzyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C31H29N3O3S MolecularWeight: 523.64526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=CC3=C(C=C2)C(=C(N3)C(=O)N)SC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=CC3=C(C=C2)C(=C(N3)C(=O)N)SC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O3S/c1-36-27-15-13-23(17-28(27)37-20-21-8-4-2-5-9-21)19-33-18-22-12-14-25-26(16-22)34-29(31(32)35)30(25)38-24-10-6-3-7-11-24/h2-17,33-34H,18-20H2,1H3,(H2,32,35)