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

Systemtic Name: 3,4-dimethyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,4-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,4-dimethyl-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,4-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=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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