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

Systemtic Name: 4-(3-hydroxyphenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-hydroxyphenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(3-hydroxyphenyl)-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-hydroxyphenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-hydroxyphenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-26-17-12-14(22(24)25)5-6-16(17)19-18(27)21-9-7-20(8-10-21)13-3-2-4-15(23)11-13/h2-6,11-12,23H,7-10H2,1H3,(H,19,27)