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

Systemtic Name: N-(3-azanylcyclohexyl)-5,6-bis(4-chlorophenyl)-3-(methoxymethyl)pyridine-2-carbothioamide Openeye Name: N-(3-aminocyclohexyl)-5,6-bis(4-chlorophenyl)-3-(methoxymethyl)pyridine-2-carbothioamide CAS Name: N-(3-aminocyclohexyl)-5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-2-pyridinecarbothioamide IUPAC Name: N-(3-aminocyclohexyl)-5,6-bis(4-chlorophenyl)-3-(methoxymethyl)pyridine-2-carbothioamide Traditional Name: N-(3-aminocyclohexyl)-5,6-bis(4-chlorophenyl)-3-(methoxymethyl)thiopicolinamide Formula: C26H27Cl2N3OS MolecularWeight: 500.48308

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C26H27Cl2N3OS/c1-32-15-18-13-23(16-5-9-19(27)10-6-16)24(17-7-11-20(28)12-8-17)31-25(18)26(33)30-22-4-2-3-21(29)14-22/h5-13,21-22H,2-4,14-15,29H2,1H3,(H,30,33)