N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S2/c1-27-15-8-9-16-18(12-15)30-21(23-16)24-20(26)17(10-11-29-2)22-19(25)13-28-14-6-4-3-5-7-14/h3-9,12,17H,10-11,13H2,1-2H3,(H,22,25)(H,23,24,26)