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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NC(=C(N=C1C(=S)NC2CCCC(C2)O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

COCC1=NC(=C(N=C1C(=S)NC2CCCC(C2)O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25Cl2N3O2S/c1-32-14-21-24(25(33)28-19-3-2-4-20(31)13-19)30-23(16-7-11-18(27)12-8-16)22(29-21)15-5-9-17(26)10-6-15/h5-12,19-20,31H,2-4,13-14H2,1H3,(H,28,33)