6-[(5-chloranyl-4-methyl-7-propan-2-yl-1,3-benzoxazol-2-yl)sulfanyl]-2,4-bis(propan-2-ylsulfanyl)-N-pyridin-3-yl-heptanamide

Systemtic Name: 6-[(5-chloranyl-4-methyl-7-propan-2-yl-1,3-benzoxazol-2-yl)sulfanyl]-2,4-bis(propan-2-ylsulfanyl)-N-pyridin-3-yl-heptanamide Openeye Name: 6-[(5-chloro-7-isopropyl-4-methyl-1,3-benzoxazol-2-yl)sulfanyl]-2,4-bis(isopropylsulfanyl)-N-(3-pyridyl)heptanamide CAS Name: 6-[(5-chloro-4-methyl-7-propan-2-yl-1,3-benzoxazol-2-yl)thio]-2,4-bis(propan-2-ylthio)-N-(3-pyridinyl)heptanamide IUPAC Name: 6-[(5-chloro-4-methyl-7-propan-2-yl-1,3-benzoxazol-2-yl)sulfanyl]-2,4-bis(propan-2-ylsulfanyl)-N-pyridin-3-ylheptanamide Traditional Name: 6-[(5-chloro-7-isopropyl-4-methyl-1,3-benzoxazol-2-yl)thio]-2,4-bis(isopropylthio)-N-(3-pyridyl)enanthamide Formula: C29H40ClN3O2S3 MolecularWeight: 594.2948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1N=C(O2)SC(C)CC(CC(C(=O)NC3=CN=CC=C3)SC(C)C)SC(C)C)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C2=C1N=C(O2)SC(C)CC(CC(C(=O)NC3=CN=CC=C3)SC(C)C)SC(C)C)C(C)C)Cl

InChI

InChI=1S/C29H40ClN3O2S3/c1-16(2)23-14-24(30)20(8)26-27(23)35-29(33-26)38-19(7)12-22(36-17(3)4)13-25(37-18(5)6)28(34)32-21-10-9-11-31-15-21/h9-11,14-19,22,25H,12-13H2,1-8H3,(H,32,34)