3-nitro-4-[2-oxidanylidene-2-(1-phenylbutylamino)ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(1-phenylbutylamino)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(1-phenylbutylamino)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(1-phenylbutylamino)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(1-phenylbutylamino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(1-phenylbutylamino)ethyl]thio]-3-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-2-6-15(13-7-4-3-5-8-13)21-18(23)12-27-17-10-9-14(19(20)24)11-16(17)22(25)26/h3-5,7-11,15H,2,6,12H2,1H3,(H2,20,24)(H,21,23)