2-[[6-(2-phenoxyethanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide

Systemtic Name: 2-[[6-(2-phenoxyethanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide Openeye Name: 2-[[6-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-N-thiazol-2-yl-butanamide CAS Name: 2-[[6-[(1-oxo-2-phenoxyethyl)amino]-1,3-benzothiazol-2-yl]thio]-N-(2-thiazolyl)butanamide IUPAC Name: 2-[[6-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide Traditional Name: 2-[[6-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]thio]-N-thiazol-2-yl-butyramide Formula: C22H20N4O3S3 MolecularWeight: 484.6142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=CS1)SC2=NC3=C(S2)C=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NC=CS1)SC2=NC3=C(S2)C=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S3/c1-2-17(20(28)26-21-23-10-11-30-21)31-22-25-16-9-8-14(12-18(16)32-22)24-19(27)13-29-15-6-4-3-5-7-15/h3-12,17H,2,13H2,1H3,(H,24,27)(H,23,26,28)