4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(propanoylamino)phenyl]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(propanoylamino)phenyl]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(propanoylamino)phenyl]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[3-(1-oxopropylamino)phenyl]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(propanoylamino)phenyl]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(3-propionamidophenyl)benzamide Formula: C24H21N3O2S2 MolecularWeight: 447.57244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21N3O2S2/c1-2-22(28)25-18-6-5-7-19(14-18)26-23(29)17-12-10-16(11-13-17)15-30-24-27-20-8-3-4-9-21(20)31-24/h3-14H,2,15H2,1H3,(H,25,28)(H,26,29)