2-chloranyl-N-[2-(3-oxidanylidenebutanoylamino)-1,3-benzothiazol-5-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-(3-oxidanylidenebutanoylamino)-1,3-benzothiazol-5-yl]benzamide Openeye Name: 2-chloro-N-[2-(3-oxobutanoylamino)-1,3-benzothiazol-5-yl]benzamide CAS Name: 2-chloro-N-[2-(1,3-dioxobutylamino)-1,3-benzothiazol-5-yl]benzamide IUPAC Name: 2-chloro-N-[2-(3-oxobutanoylamino)-1,3-benzothiazol-5-yl]benzamide Traditional Name: N-[2-(acetoacetylamino)-1,3-benzothiazol-5-yl]-2-chloro-benzamide Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)CC(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H14ClN3O3S/c1-10(23)8-16(24)22-18-21-14-9-11(6-7-15(14)26-18)20-17(25)12-4-2-3-5-13(12)19/h2-7,9H,8H2,1H3,(H,20,25)(H,21,22,24)