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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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