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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

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