N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(2-furylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(2-furanylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(2-furfuryl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(C=CC(=C4S3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(C=CC(=C4S3)C)OC

InChI

InChI=1S/C25H26N2O3S2/c1-17-8-11-20(12-9-17)31-15-5-7-22(28)27(16-19-6-4-14-30-19)25-26-23-21(29-3)13-10-18(2)24(23)32-25/h4,6,8-14H,5,7,15-16H2,1-3H3