N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(2-furylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(2-furanylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(benzylthio)-N-(2-furfuryl)-N-(5-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3S2/c1-28-19-11-12-22-21(15-19)25-24(31-22)26(16-20-9-5-13-29-20)23(27)10-6-14-30-17-18-7-3-2-4-8-18/h2-5,7-9,11-13,15H,6,10,14,16-17H2,1H3