4-[2-[cyclopropyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[cyclopropyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[benzyl(cyclopropyl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[cyclopropyl-(phenylmethyl)amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[benzyl(cyclopropyl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1N(CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c20-19(24)14-6-9-17(16(10-14)22(25)26)27-12-18(23)21(15-7-8-15)11-13-4-2-1-3-5-13/h1-6,9-10,15H,7-8,11-12H2,(H2,20,24)