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

Systemtic Name: 4-[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c20-18(25)11-4-7-16(15(9-11)23(27)28)29-10-17(24)21-14-3-1-2-12(8-14)19(26)22-13-5-6-13/h1-4,7-9,13H,5-6,10H2,(H2,20,25)(H,21,24)(H,22,26)