N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]propanamide

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]propanamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]propanamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]propanamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]propionamide Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C

InChI

InChI=1S/C13H14N4O2S2/c1-3-11(19)16-12(20)17-13-15-9-5-4-8(14-7(2)18)6-10(9)21-13/h4-6H,3H2,1-2H3,(H,14,18)(H2,15,16,17,19,20)