methyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamothioylamino]butanoate CAS Name: 4-[[[(2-methyl-1,3-benzothiazol-6-yl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamothioylamino]butanoate Traditional Name: 4-[(2-methyl-1,3-benzothiazol-6-yl)thiocarbamoylamino]butyric acid methyl ester Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C14H17N3O2S2/c1-9-16-11-6-5-10(8-12(11)21-9)17-14(20)15-7-3-4-13(18)19-2/h5-6,8H,3-4,7H2,1-2H3,(H2,15,17,20)