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

Systemtic Name: 4-nitro-N-[2-[3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylindol-1-yl]ethyl]benzamide Openeye Name: N-[2-[3-[2-(benzylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[2-[3-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1-indolyl]ethyl]benzamide IUPAC Name: N-[2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[[2-(benzylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O4S/c31-25(28-16-19-6-2-1-3-7-19)18-35-24-17-29(23-9-5-4-8-22(23)24)15-14-27-26(32)20-10-12-21(13-11-20)30(33)34/h1-13,17H,14-16,18H2,(H,27,32)(H,28,31)