N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-oxidanylidene-5-thiophen-2-yl-pentanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-oxidanylidene-5-thiophen-2-yl-pentanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-5-oxo-5-(2-thienyl)pentanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-5-keto-5-(2-thienyl)valeramide Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNC(=O)CCCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNC(=O)CCCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O3S2/c24-16(19-8-4-12-27-19)6-3-9-20(25)22-13-14-10-11-17(26-14)21-23-15-5-1-2-7-18(15)28-21/h1-2,4-5,7-8,10-12H,3,6,9,13H2,(H,22,25)