N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(6-ethyl-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:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCCSC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCCSC4=CC=C(C=C4)C

InChI

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