ethyl 4-[[2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[1-[(4-dimethylaminophenyl)carbamothioyl]-4-piperidyl]thiazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-[1-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-4-piperidinyl]-4-thiazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[1-[(4-dimethylaminophenyl)thiocarbamoyl]-4-piperidyl]thiazole-4-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C26H36N6O3S2 MolecularWeight: 544.73244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=S)NC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=S)NC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H36N6O3S2/c1-4-35-26(34)32-15-11-20(12-16-32)27-23(33)22-17-37-24(29-22)18-9-13-31(14-10-18)25(36)28-19-5-7-21(8-6-19)30(2)3/h5-8,17-18,20H,4,9-16H2,1-3H3,(H,27,33)(H,28,36)