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

Systemtic Name: methyl 4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(2-methylthiazol-4-yl)phenyl]methylcarbamothioylamino]butanoate CAS Name: 4-[[[[4-(2-methyl-4-thiazolyl)phenyl]methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamothioylamino]butanoate Traditional Name: 4-[[4-(2-methylthiazol-4-yl)benzyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H21N3O2S2 MolecularWeight: 363.49754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S2/c1-12-20-15(11-24-12)14-7-5-13(6-8-14)10-19-17(23)18-9-3-4-16(21)22-2/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,23)