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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-phenyl-piperazine-1-carbothioamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-25-17-13-15(22(23)24)7-8-16(17)19-18(26)21-11-9-20(10-12-21)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,19,26)