N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-methyl-benzamide

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-methyl-benzamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-methyl-benzamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-methylbenzamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-methyl-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-14-4-3-5-15(12-14)19(25)21-20(29)23-10-8-22(9-11-23)17-7-6-16(28-2)13-18(17)24(26)27/h3-7,12-13H,8-11H2,1-2H3,(H,21,25,29)