N-(4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C25H25N3OS2 MolecularWeight: 447.6155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3OS2/c1-19-8-5-12-22-24(19)27-25(31-22)28(17-21-11-6-14-26-16-21)23(29)13-7-15-30-18-20-9-3-2-4-10-20/h2-6,8-12,14,16H,7,13,15,17-18H2,1H3