3,4-dimethoxy-N-[2-[3-(phenylmethylsulfanyl)indol-1-yl]ethyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-[3-(phenylmethylsulfanyl)indol-1-yl]ethyl]benzamide Openeye Name: N-[2-(3-benzylsulfanylindol-1-yl)ethyl]-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[2-[3-(phenylmethylthio)-1-indolyl]ethyl]benzamide IUPAC Name: N-[2-(3-benzylsulfanylindol-1-yl)ethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[3-(benzylthio)indol-1-yl]ethyl]-3,4-dimethoxy-benzamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H26N2O3S/c1-30-23-13-12-20(16-24(23)31-2)26(29)27-14-15-28-17-25(21-10-6-7-11-22(21)28)32-18-19-8-4-3-5-9-19/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,29)