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

Systemtic Name: N-(2-aminocarbonyl-4-chloranyl-phenyl)-2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(2-carbamoyl-4-chloro-phenyl)-2-[1-[(4-dimethylaminophenyl)carbamothioyl]-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(2-carbamoyl-4-chlorophenyl)-2-[1-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2-carbamoyl-4-chlorophenyl)-2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(2-carbamoyl-4-chloro-phenyl)-2-[1-[(4-dimethylaminophenyl)thiocarbamoyl]-4-piperidyl]thiazole-4-carboxamide Formula: C25H27ClN6O2S2 MolecularWeight: 543.10388

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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=C(C=C(C=C4)Cl)C(=O)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C25H27ClN6O2S2/c1-31(2)18-6-4-17(5-7-18)28-25(35)32-11-9-15(10-12-32)24-30-21(14-36-24)23(34)29-20-8-3-16(26)13-19(20)22(27)33/h3-8,13-15H,9-12H2,1-2H3,(H2,27,33)(H,28,35)(H,29,34)