N-(2,6-dimethylphenyl)-2-(4-oxidanylidenepentanoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(4-oxidanylidenepentanoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-(4-oxopentanoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-(1,4-dioxopentylamino)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(4-oxopentanoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-(4-ketopentanoylamino)-1,3-benzothiazole-6-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCC(=O)C

InChI

InChI=1S/C21H21N3O3S/c1-12-5-4-6-13(2)19(12)24-20(27)15-8-9-16-17(11-15)28-21(22-16)23-18(26)10-7-14(3)25/h4-6,8-9,11H,7,10H2,1-3H3,(H,24,27)(H,22,23,26)