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

Systemtic Name: methyl 2-[(4-cyano-1,3-thiazol-2-yl)carbamothioylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(4-cyanothiazol-2-yl)carbamothioylamino]-3-phenyl-propanoate CAS Name: 2-[[[(4-cyano-2-thiazolyl)amino]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4-cyano-1,3-thiazol-2-yl)carbamothioylamino]-3-phenylpropanoate Traditional Name: 2-[(4-cyanothiazol-2-yl)thiocarbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C15H14N4O2S2 MolecularWeight: 346.42726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NC(=CS2)C#N

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NC(=CS2)C#N

InChI

InChI=1S/C15H14N4O2S2/c1-21-13(20)12(7-10-5-3-2-4-6-10)18-14(22)19-15-17-11(8-16)9-23-15/h2-6,9,12H,7H2,1H3,(H2,17,18,19,22)