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

Systemtic Name: N-(3-azanylcyclohexyl)-5,6-bis(4-chlorophenyl)-3-(methoxymethyl)pyrazine-2-carbothioamide Openeye Name: N-(3-aminocyclohexyl)-5,6-bis(4-chlorophenyl)-3-(methoxymethyl)pyrazine-2-carbothioamide CAS Name: N-(3-aminocyclohexyl)-5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-2-pyrazinecarbothioamide IUPAC Name: N-(3-aminocyclohexyl)-5,6-bis(4-chlorophenyl)-3-(methoxymethyl)pyrazine-2-carbothioamide Traditional Name: N-(3-aminocyclohexyl)-5,6-bis(4-chlorophenyl)-3-(methoxymethyl)thiopyrazinamide Formula: C25H26Cl2N4OS MolecularWeight: 501.47114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26Cl2N4OS/c1-32-14-21-24(25(33)29-20-4-2-3-19(28)13-20)31-23(16-7-11-18(27)12-8-16)22(30-21)15-5-9-17(26)10-6-15/h5-12,19-20H,2-4,13-14,28H2,1H3,(H,29,33)