methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)carbamothioyl]amino]butanoate CAS Name: 4-[[[1,3-benzothiazol-2-ylmethyl(methyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzothiazol-2-ylmethyl(methyl)carbamothioyl]amino]butanoate Traditional Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)thiocarbamoyl]amino]butyric acid methyl ester Formula: C15H19N3O2S2 MolecularWeight: 337.46026

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=S)NCCCC(=O)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H19N3O2S2/c1-18(15(21)16-9-5-8-14(19)20-2)10-13-17-11-6-3-4-7-12(11)22-13/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,21)