4-(3-methoxyphenyl)-N-(phenylmethyl)-1-pyrimidin-2-yl-piperidine-4-carbothioamide

Systemtic Name: 4-(3-methoxyphenyl)-N-(phenylmethyl)-1-pyrimidin-2-yl-piperidine-4-carbothioamide Openeye Name: N-benzyl-4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carbothioamide CAS Name: 4-(3-methoxyphenyl)-N-(phenylmethyl)-1-(2-pyrimidinyl)-4-piperidinecarbothioamide IUPAC Name: N-benzyl-4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carbothioamide Traditional Name: N-benzyl-4-(3-methoxyphenyl)-1-(2-pyrimidyl)thioisonipecotamide Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c1-29-21-10-5-9-20(17-21)24(22(30)27-18-19-7-3-2-4-8-19)11-15-28(16-12-24)23-25-13-6-14-26-23/h2-10,13-14,17H,11-12,15-16,18H2,1H3,(H,27,30)