3,5-dinitro-N-[1-oxidanylidene-1-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-3-(phenylmethylsulfanyl)propan-2-yl]benzamide

Systemtic Name: 3,5-dinitro-N-[1-oxidanylidene-1-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-3-(phenylmethylsulfanyl)propan-2-yl]benzamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-oxo-2-[2-(2-oxoindol-3-yl)hydrazino]ethyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[1-oxo-1-[(2-oxo-3-indolyl)hydrazo]-3-(phenylmethylthio)propan-2-yl]benzamide IUPAC Name: N-[3-benzylsulfanyl-1-oxo-1-[2-(2-oxoindol-3-yl)hydrazinyl]propan-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[1-[(benzylthio)methyl]-2-keto-2-[N'-(2-ketoindol-3-yl)hydrazino]ethyl]-3,5-dinitro-benzamide Formula: C25H20N6O7S MolecularWeight: 548.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NNC2=C3C=CC=CC3=NC2=O)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)NNC2=C3C=CC=CC3=NC2=O)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H20N6O7S/c32-23(16-10-17(30(35)36)12-18(11-16)31(37)38)27-21(14-39-13-15-6-2-1-3-7-15)24(33)29-28-22-19-8-4-5-9-20(19)26-25(22)34/h1-12,21H,13-14H2,(H,27,32)(H,29,33)(H,26,28,34)