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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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