N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-3-nitro-4-(p-tolylthio)benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c1-12-2-7-15(8-3-12)27-17-9-4-13(10-16(17)22(25)26)19(24)20-11-18(23)21-14-5-6-14/h2-4,7-10,14H,5-6,11H2,1H3,(H,20,24)(H,21,23)