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

Systemtic Name: methyl 4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(2-methylthiazol-4-yl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(2-methyl-4-thiazolyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(2-methylthiazol-4-yl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H19N3O2S2/c1-11-18-14(10-23-11)12-5-7-13(8-6-12)19-16(22)17-9-3-4-15(20)21-2/h5-8,10H,3-4,9H2,1-2H3,(H2,17,19,22)