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

Systemtic Name: 4-(3,4-dichlorophenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dichlorophenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dichlorophenyl)-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dichlorophenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dichlorophenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C18H18Cl2N4O3S MolecularWeight: 441.33152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H18Cl2N4O3S/c1-27-17-11-13(24(25)26)3-5-16(17)21-18(28)23-8-6-22(7-9-23)12-2-4-14(19)15(20)10-12/h2-5,10-11H,6-9H2,1H3,(H,21,28)