3,4-dimethoxy-N-[2-[3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylindol-1-yl]ethyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-[3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylindol-1-yl]ethyl]benzamide Openeye Name: 3,4-dimethoxy-N-[2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylindol-1-yl]ethyl]benzamide CAS Name: 3,4-dimethoxy-N-[2-[3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1-indolyl]ethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylindol-1-yl]ethyl]benzamide Traditional Name: N-[2-[3-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H34N4O4S/c1-38-27-13-12-23(20-28(27)39-2)31(37)32-14-15-35-21-29(25-10-6-7-11-26(25)35)40-22-30(36)34-18-16-33(17-19-34)24-8-4-3-5-9-24/h3-13,20-21H,14-19,22H2,1-2H3,(H,32,37)