3,5-dimethyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,5-dimethyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,5-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,5-dimethyl-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,5-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-14-11-15(2)13-16(12-14)19(25)21-20(28)23-9-7-22(8-10-23)17-3-5-18(6-4-17)24(26)27/h3-6,11-13H,7-10H2,1-2H3,(H,21,25,28)