2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]-N-(2-furfuryl)benzamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3O3S2/c27-21(12-6-14-30-23-26-19-10-3-4-11-20(19)31-23)25-18-9-2-1-8-17(18)22(28)24-15-16-7-5-13-29-16/h1-5,7-11,13H,6,12,14-15H2,(H,24,28)(H,25,27)