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

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3,4-dimethyl-benzamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3,4-dimethylbenzamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3,4-dimethyl-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-14-4-5-16(12-15(14)2)20(26)22-21(30)24-10-8-23(9-11-24)18-7-6-17(29-3)13-19(18)25(27)28/h4-7,12-13H,8-11H2,1-3H3,(H,22,26,30)