N-(4,5-dimethoxy-2-methyl-phenyl)-2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(4,5-dimethoxy-2-methyl-phenyl)-2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(4,5-dimethoxy-2-methyl-phenyl)-2-[1-[(4-dimethylaminophenyl)carbamothioyl]-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(4,5-dimethoxy-2-methylphenyl)-2-[1-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(4,5-dimethoxy-2-methyl-phenyl)-2-[1-[(4-dimethylaminophenyl)thiocarbamoyl]-4-piperidyl]thiazole-4-carboxamide Formula: C27H33N5O3S2 MolecularWeight: 539.71262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=S)NC4=CC=C(C=C4)N(C)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=S)NC4=CC=C(C=C4)N(C)C)OC)OC

InChI

InChI=1S/C27H33N5O3S2/c1-17-14-23(34-4)24(35-5)15-21(17)29-25(33)22-16-37-26(30-22)18-10-12-32(13-11-18)27(36)28-19-6-8-20(9-7-19)31(2)3/h6-9,14-16,18H,10-13H2,1-5H3,(H,28,36)(H,29,33)