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

Systemtic Name: 4-[2-[butyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(N-butylanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(N-butylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(N-butylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(N-butylanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-2-3-11-21(15-7-5-4-6-8-15)18(23)13-27-17-10-9-14(19(20)24)12-16(17)22(25)26/h4-10,12H,2-3,11,13H2,1H3,(H2,20,24)