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

Systemtic Name: N-[2-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4S/c30-24(27-14-5-1-2-6-15-27)18-34-23-17-28(22-8-4-3-7-21(22)23)16-13-26-25(31)19-9-11-20(12-10-19)29(32)33/h3-4,7-12,17H,1-2,5-6,13-16,18H2,(H,26,31)