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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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