N-(2-methoxy-4-nitro-phenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-m-anisyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-27-17-5-3-4-15(12-17)14-22-8-10-23(11-9-22)20(29)21-18-7-6-16(24(25)26)13-19(18)28-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,29)