5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-N-(4-methyl-1-oxidanyl-pentan-2-yl)pyrazine-2-carbothioamide

Systemtic Name: 5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-N-(4-methyl-1-oxidanyl-pentan-2-yl)pyrazine-2-carbothioamide Openeye Name: 5,6-bis(4-chlorophenyl)-N-[1-(hydroxymethyl)-3-methyl-butyl]-3-(methoxymethyl)pyrazine-2-carbothioamide CAS Name: 5,6-bis(4-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)-3-(methoxymethyl)-2-pyrazinecarbothioamide IUPAC Name: 5,6-bis(4-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)-3-(methoxymethyl)pyrazine-2-carbothioamide Traditional Name: 5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-N-(3-methyl-1-methylol-butyl)thiopyrazinamide Formula: C25H27Cl2N3O2S MolecularWeight: 504.47178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)NC(=S)C1=NC(=C(N=C1COC)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CC(CO)NC(=S)C1=NC(=C(N=C1COC)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H27Cl2N3O2S/c1-15(2)12-20(13-31)28-25(33)24-21(14-32-3)29-22(16-4-8-18(26)9-5-16)23(30-24)17-6-10-19(27)11-7-17/h4-11,15,20,31H,12-14H2,1-3H3,(H,28,33)