N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide Openeye Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(1-oxopentylamino)benzamide IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide Traditional Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(valerylamino)benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C

InChI

InChI=1S/C21H25N3O3S/c1-4-5-6-17(26)22-14-9-7-13(8-10-14)19(27)24-20-23-15-11-21(2,3)12-16(25)18(15)28-20/h7-10H,4-6,11-12H2,1-3H3,(H,22,26)(H,23,24,27)