N-(2-methoxy-5-phenyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-phenyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-phenyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-phenylphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-phenylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-phenyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O3S/c1-31-23-12-7-19(18-5-3-2-4-6-18)17-22(23)25-24(32)27-15-13-26(14-16-27)20-8-10-21(11-9-20)28(29)30/h2-12,17H,13-16H2,1H3,(H,25,32)