2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

Systemtic Name: 2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-thiazol-2-yl-propanamide CAS Name: 2-[[6-(1-oxopropylamino)-1,3-benzothiazol-2-yl]thio]-N-(2-thiazolyl)propanamide IUPAC Name: 2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 2-[(6-propionamido-1,3-benzothiazol-2-yl)thio]-N-thiazol-2-yl-propionamide Formula: C16H16N4O2S3 MolecularWeight: 392.51884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC(C)C(=O)NC3=NC=CS3

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC(C)C(=O)NC3=NC=CS3

InChI

InChI=1S/C16H16N4O2S3/c1-3-13(21)18-10-4-5-11-12(8-10)25-16(19-11)24-9(2)14(22)20-15-17-6-7-23-15/h4-9H,3H2,1-2H3,(H,18,21)(H,17,20,22)