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

Systemtic Name: 5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-N-(2-oxidanylcyclohexyl)pyrazine-2-carbothioamide Openeye Name: 5,6-bis(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-3-(methoxymethyl)pyrazine-2-carbothioamide CAS Name: 5,6-bis(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-3-(methoxymethyl)-2-pyrazinecarbothioamide IUPAC Name: 5,6-bis(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-3-(methoxymethyl)pyrazine-2-carbothioamide Traditional Name: 5,6-bis(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-3-(methoxymethyl)thiopyrazinamide Formula: C25H25Cl2N3O2S MolecularWeight: 502.4559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=NC(=C(N=C1C(=S)NC2CCCCC2O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

COCC1=NC(=C(N=C1C(=S)NC2CCCCC2O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25Cl2N3O2S/c1-32-14-20-24(25(33)29-19-4-2-3-5-21(19)31)30-23(16-8-12-18(27)13-9-16)22(28-20)15-6-10-17(26)11-7-15/h6-13,19,21,31H,2-5,14H2,1H3,(H,29,33)