N-(4-dimethylaminophenyl)-4-[4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(4-dimethylaminophenyl)-4-[4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]piperidine-1-carbothioamide Openeye Name: 4-[4-(4-benzylpiperazine-1-carbonyl)thiazol-2-yl]-N-(4-dimethylaminophenyl)piperidine-1-carbothioamide CAS Name: N-(4-dimethylaminophenyl)-4-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-thiazolyl]-1-piperidinecarbothioamide IUPAC Name: 4-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-dimethylaminophenyl)piperidine-1-carbothioamide Traditional Name: 4-[4-(4-benzylpiperazine-1-carbonyl)thiazol-2-yl]-N-(4-dimethylaminophenyl)piperidine-1-carbothioamide Formula: C29H36N6OS2 MolecularWeight: 548.76574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H36N6OS2/c1-32(2)25-10-8-24(9-11-25)30-29(37)35-14-12-23(13-15-35)27-31-26(21-38-27)28(36)34-18-16-33(17-19-34)20-22-6-4-3-5-7-22/h3-11,21,23H,12-20H2,1-2H3,(H,30,37)