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

Systemtic Name: methyl 4-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19N3O2S2/c1-24-17(23)10-5-11-20-19(25)21-14-7-4-6-13(12-14)18-22-15-8-2-3-9-16(15)26-18/h2-4,6-9,12H,5,10-11H2,1H3,(H2,20,21,25)