methyl 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(4,5-dimethylthiazol-2-yl)carbamothioylamino]-3-phenyl-propanoate CAS Name: 2-[[[(4,5-dimethyl-2-thiazolyl)amino]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioylamino]-3-phenylpropanoate Traditional Name: 2-[(4,5-dimethylthiazol-2-yl)thiocarbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(CC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(CC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C16H19N3O2S2/c1-10-11(2)23-16(17-10)19-15(22)18-13(14(20)21-3)9-12-7-5-4-6-8-12/h4-8,13H,9H2,1-3H3,(H2,17,18,19,22)