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

Systemtic Name: 4-phenylsulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 4-(phenylthio)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-phenylsulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(3-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=CN=CC=C3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSC4=CC=CC=C4

InChI

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