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

Systemtic Name: N-[2-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[[2-(cyclohexylamino)-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:

C1CCC(CC1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4S/c30-24(27-19-6-2-1-3-7-19)17-34-23-16-28(22-9-5-4-8-21(22)23)15-14-26-25(31)18-10-12-20(13-11-18)29(32)33/h4-5,8-13,16,19H,1-3,6-7,14-15,17H2,(H,26,31)(H,27,30)