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

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)butanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)butyramide Formula: C25H26N2O2S2 MolecularWeight: 450.61614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCCSCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCCSCC4=CC=CC=C4)C

InChI

InChI=1S/C25H26N2O2S2/c1-18-14-19(2)24-22(15-18)26-25(31-24)27(16-21-10-6-12-29-21)23(28)11-7-13-30-17-20-8-4-3-5-9-20/h3-6,8-10,12,14-15H,7,11,13,16-17H2,1-2H3