N-cycloheptyl-N-[[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]carbamoyl]-4-(3-methylbutyl)benzamide

Systemtic Name: N-cycloheptyl-N-[[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]carbamoyl]-4-(3-methylbutyl)benzamide Openeye Name: N-cycloheptyl-4-isopentyl-N-[[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]carbamoyl]benzamide CAS Name: N-cycloheptyl-N-[[[6-methyl-2,4-bis(methylthio)-3-pyridinyl]amino]-oxomethyl]-4-(3-methylbutyl)benzamide IUPAC Name: N-cycloheptyl-N-[[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]carbamoyl]-4-(3-methylbutyl)benzamide Traditional Name: N-cycloheptyl-4-isoamyl-N-[[6-methyl-2,4-bis(methylthio)-3-pyridyl]carbamoyl]benzamide Formula: C28H39N3O2S2 MolecularWeight: 513.75816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC)NC(=O)N(C2CCCCCC2)C(=O)C3=CC=C(C=C3)CCC(C)C)SC

Isomeric SMILES

CC1=NC(=C(C(=C1)SC)NC(=O)N(C2CCCCCC2)C(=O)C3=CC=C(C=C3)CCC(C)C)SC

InChI

InChI=1S/C28H39N3O2S2/c1-19(2)12-13-21-14-16-22(17-15-21)27(32)31(23-10-8-6-7-9-11-23)28(33)30-25-24(34-4)18-20(3)29-26(25)35-5/h14-19,23H,6-13H2,1-5H3,(H,30,33)