N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-4-(p-tolylthio)butyramide Formula: C25H26N2O2S2 MolecularWeight: 450.61614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2S2/c1-17-8-10-21(11-9-17)30-13-5-7-23(28)27(16-20-6-4-12-29-20)25-26-22-15-18(2)14-19(3)24(22)31-25/h4,6,8-12,14-15H,5,7,13,16H2,1-3H3