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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-26-19-14-17(23(24)25)7-8-18(19)21-20(27)22-11-9-16(10-12-22)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3,(H,21,27)