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

Systemtic Name: N-[6-(ethanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]propanamide Openeye Name: N-[6-(acetylcarbamothioylamino)-1,3-benzothiazol-2-yl]propanamide CAS Name: N-[6-[[acetamido(sulfanylidene)methyl]amino]-1,3-benzothiazol-2-yl]propanamide IUPAC Name: N-[6-(acetylcarbamothioylamino)-1,3-benzothiazol-2-yl]propanamide Traditional Name: N-[6-(acetylthiocarbamoylamino)-1,3-benzothiazol-2-yl]propionamide Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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