ethyl 2-[1-[4-(carbamothioylamino)phenyl]carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-[4-(carbamothioylamino)phenyl]carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-[4-(carbamothioylamino)benzoyl]-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[[4-(carbamothioylamino)phenyl]-oxomethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[4-(carbamothioylamino)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-(4-thioureidobenzoyl)-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=S)N

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=S)N

InChI

InChI=1S/C19H22N4O3S2/c1-2-26-18(25)15-11-28-16(22-15)12-7-9-23(10-8-12)17(24)13-3-5-14(6-4-13)21-19(20)27/h3-6,11-12H,2,7-10H2,1H3,(H3,20,21,27)