5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-N-(3-oxidanylcyclohexyl)pyridine-2-carbothioamide

Systemtic Name: 5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-N-(3-oxidanylcyclohexyl)pyridine-2-carbothioamide Openeye Name: 5,6-bis(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-3-(methoxymethyl)pyridine-2-carbothioamide CAS Name: 5,6-bis(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-3-(methoxymethyl)-2-pyridinecarbothioamide IUPAC Name: 5,6-bis(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-3-(methoxymethyl)pyridine-2-carbothioamide Traditional Name: 5,6-bis(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-3-(methoxymethyl)thiopicolinamide Formula: C26H26Cl2N2O2S MolecularWeight: 501.46784

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(N=C(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=S)NC4CCCC(C4)O

Isomeric SMILES

COCC1=C(N=C(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=S)NC4CCCC(C4)O

InChI

InChI=1S/C26H26Cl2N2O2S/c1-32-15-18-13-23(16-5-9-19(27)10-6-16)24(17-7-11-20(28)12-8-17)30-25(18)26(33)29-21-3-2-4-22(31)14-21/h5-13,21-22,31H,2-4,14-15H2,1H3,(H,29,33)