4-[(3-methoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-methoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-methoxyphenyl)methyl]-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-methoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-m-anisyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c1-26-18-7-2-4-15(12-18)14-21-8-10-22(11-9-21)19(27)20-16-5-3-6-17(13-16)23(24)25/h2-7,12-13H,8-11,14H2,1H3,(H,20,27)