N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]propanamide

Systemtic Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]propanamide Openeye Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]propanamide CAS Name: N-[[(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]propanamide Traditional Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]propionamide Formula: C13H15N3OS2 MolecularWeight: 293.4077

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=NC2=C(C=CC(=C2S1)C)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=NC2=C(C=CC(=C2S1)C)C

InChI

InChI=1S/C13H15N3OS2/c1-4-9(17)14-12(18)16-13-15-10-7(2)5-6-8(3)11(10)19-13/h5-6H,4H2,1-3H3,(H2,14,15,16,17,18)