2-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N4O3S2/c1-10-7-14(21-24-10)20-17(23)11(2)25-9-15(22)18-8-16-19-12-5-3-4-6-13(12)26-16/h3-7,11H,8-9H2,1-2H3,(H,18,22)(H,20,21,23)