methyl 4-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-phenylacryloyl]thiocarbamoylamino]thiazole-5-carboxylic acid methyl ester Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S2/c1-10-13(14(21)22-2)24-16(17-10)19-15(23)18-12(20)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,17,18,19,20,23)/b9-8+