4-methyl-N-[2-(3-oxidanylidenebutanoylamino)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-methyl-N-[2-(3-oxidanylidenebutanoylamino)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-methyl-N-[2-(3-oxobutanoylamino)-1,3-benzothiazol-6-yl]benzamide CAS Name: N-[2-(1,3-dioxobutylamino)-1,3-benzothiazol-6-yl]-4-methylbenzamide IUPAC Name: 4-methyl-N-[2-(3-oxobutanoylamino)-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-(acetoacetylamino)-1,3-benzothiazol-6-yl]-4-methyl-benzamide Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)CC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)CC(=O)C

InChI

InChI=1S/C19H17N3O3S/c1-11-3-5-13(6-4-11)18(25)20-14-7-8-15-16(10-14)26-19(21-15)22-17(24)9-12(2)23/h3-8,10H,9H2,1-2H3,(H,20,25)(H,21,22,24)