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

Systemtic Name: 4-nitro-N-[2-[3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylindol-1-yl]ethyl]benzamide Openeye Name: 4-nitro-N-[2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylindol-1-yl]ethyl]benzamide CAS Name: 4-nitro-N-[2-[3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1-indolyl]ethyl]benzamide IUPAC Name: 4-nitro-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]-4-nitro-benzamide Formula: C29H29N5O4S MolecularWeight: 543.63666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O4S/c35-28(32-18-16-31(17-19-32)23-6-2-1-3-7-23)21-39-27-20-33(26-9-5-4-8-25(26)27)15-14-30-29(36)22-10-12-24(13-11-22)34(37)38/h1-13,20H,14-19,21H2,(H,30,36)