4-(2,3-dimethylphenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C20H24N4O3S/c1-14-5-4-6-18(15(14)2)22-9-11-23(12-10-22)20(28)21-17-8-7-16(24(25)26)13-19(17)27-3/h4-8,13H,9-12H2,1-3H3,(H,21,28)