N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxy-4-phenylmethoxy-benzenecarbothioamide

Systemtic Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxy-4-phenylmethoxy-benzenecarbothioamide Openeye Name: 4-benzyloxy-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxy-benzenecarbothioamide CAS Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxy-4-phenylmethoxybenzenecarbothioamide IUPAC Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxy-4-phenylmethoxybenzenecarbothioamide Traditional Name: 4-benzoxy-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxy-thiobenzamide Formula: C32H30N2O3S MolecularWeight: 522.6572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=S)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C32H30N2O3S/c1-35-25-15-12-23(13-16-25)27(28-20-33-29-11-7-6-10-26(28)29)19-34-32(38)24-14-17-30(31(18-24)36-2)37-21-22-8-4-3-5-9-22/h3-18,20,27,33H,19,21H2,1-2H3,(H,34,38)