4-phenylsulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 4-phenylsulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: 4-(phenylthio)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-phenylsulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridylmethyl)butyramide Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS2/c1-19(2)22-13-8-14-23-25(22)28-26(32-23)29(18-20-10-6-7-16-27-20)24(30)15-9-17-31-21-11-4-3-5-12-21/h3-8,10-14,16,19H,9,15,17-18H2,1-2H3