4-[(3-chlorophenyl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4O3S/c1-27-18-12-16(24(25)26)5-6-17(18)21-19(28)23-9-7-22(8-10-23)13-14-3-2-4-15(20)11-14/h2-6,11-12H,7-10,13H2,1H3,(H,21,28)