N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N

InChI

InChI=1S/C12H13N3O2S2/c1-2-11(17)14-7-3-4-8-9(5-7)19-12(15-8)18-6-10(13)16/h3-5H,2,6H2,1H3,(H2,13,16)(H,14,17)