2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-N-(1-ethynylcyclohexyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-N-(1-ethynylcyclohexyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-[(4-dimethylaminophenyl)carbamothioyl]-4-piperidyl]-N-(1-ethynylcyclohexyl)thiazole-4-carboxamide CAS Name: 2-[1-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-4-piperidinyl]-N-(1-ethynylcyclohexyl)-4-thiazolecarboxamide IUPAC Name: 2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-N-(1-ethynylcyclohexyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[(4-dimethylaminophenyl)thiocarbamoyl]-4-piperidyl]-N-(1-ethynylcyclohexyl)thiazole-4-carboxamide Formula: C26H33N5OS2 MolecularWeight: 495.70312

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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)NC4(CCCCC4)C#C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4(CCCCC4)C#C

InChI

InChI=1S/C26H33N5OS2/c1-4-26(14-6-5-7-15-26)29-23(32)22-18-34-24(28-22)19-12-16-31(17-13-19)25(33)27-20-8-10-21(11-9-20)30(2)3/h1,8-11,18-19H,5-7,12-17H2,2-3H3,(H,27,33)(H,29,32)