2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(4-nitrobenzyl)indol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O3S/c32-27(29-16-14-28(15-17-29)22-6-2-1-3-7-22)20-35-26-19-30(25-9-5-4-8-24(25)26)18-21-10-12-23(13-11-21)31(33)34/h1-13,19H,14-18,20H2