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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCSCC4=CC=CC=C4

InChI

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