N-[4-(3-chlorophenyl)piperazin-1-yl]carbothioyl-4-methyl-3-nitro-benzamide

Systemtic Name: N-[4-(3-chlorophenyl)piperazin-1-yl]carbothioyl-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]-4-methyl-3-nitro-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O3S/c1-13-5-6-14(11-17(13)24(26)27)18(25)21-19(28)23-9-7-22(8-10-23)16-4-2-3-15(20)12-16/h2-6,11-12H,7-10H2,1H3,(H,21,25,28)