methyl 4-methyl-2-[(4-phenylphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4-phenylphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[(4-phenylbenzoyl)carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-phenylbenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(4-phenylbenzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid methyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H17N3O3S2/c1-12-16(18(25)26-2)28-20(21-12)23-19(27)22-17(24)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,21,22,23,24,27)