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

Systemtic Name: 4-[(4-fluorophenyl)methyl]-N-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(4-fluorophenyl)methyl]-N-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(4-fluorophenyl)methyl]-N-(4-methoxy-2-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4-fluorophenyl)methyl]-N-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-fluorobenzyl)-N-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioamide Formula: C19H21FN4O3S MolecularWeight: 404.458443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O3S/c1-27-16-6-7-17(18(12-16)24(25)26)21-19(28)23-10-8-22(9-11-23)13-14-2-4-15(20)5-3-14/h2-7,12H,8-11,13H2,1H3,(H,21,28)