4-[2-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-[2-(methylamino)-2-oxo-ethyl]anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[4-[2-keto-2-(methylamino)ethyl]anilino]ethyl]thio]-3-nitro-benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-20-16(23)8-11-2-5-13(6-3-11)21-17(24)10-28-15-7-4-12(18(19)25)9-14(15)22(26)27/h2-7,9H,8,10H2,1H3,(H2,19,25)(H,20,23)(H,21,24)