6-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(methylsulfanyl)-N-pyridin-3-yl-heptanamide

Systemtic Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(methylsulfanyl)-N-pyridin-3-yl-heptanamide Openeye Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(methylsulfanyl)-N-(3-pyridyl)heptanamide CAS Name: 6-(1,3-benzoxazol-2-ylthio)-2,4-bis(methylthio)-N-(3-pyridinyl)heptanamide IUPAC Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(methylsulfanyl)-N-pyridin-3-ylheptanamide Traditional Name: 6-(1,3-benzoxazol-2-ylthio)-2,4-bis(methylthio)-N-(3-pyridyl)enanthamide Formula: C21H25N3O2S3 MolecularWeight: 447.6371

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(C(=O)NC1=CN=CC=C1)SC)SC)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(CC(CC(C(=O)NC1=CN=CC=C1)SC)SC)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H25N3O2S3/c1-14(29-21-24-17-8-4-5-9-18(17)26-21)11-16(27-2)12-19(28-3)20(25)23-15-7-6-10-22-13-15/h4-10,13-14,16,19H,11-12H2,1-3H3,(H,23,25)