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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-propanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-amino-2-oxo-ethyl)sulfanyl-propanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[(2-amino-2-oxoethyl)thio]propanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-amino-2-oxoethyl)sulfanylpropanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[(2-amino-2-keto-ethyl)thio]propionamide Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSCC(=O)N

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C14H16N4O3S2/c1-8(19)16-9-2-3-10-11(6-9)23-14(17-10)18-13(21)4-5-22-7-12(15)20/h2-3,6H,4-5,7H2,1H3,(H2,15,20)(H,16,19)(H,17,18,21)