N-(3-chloranyl-4-methoxy-phenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-[(2-chlorophenyl)methyl]hexahydropyrimidine-1-carbothioamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide Traditional Name: 3-(2-chlorobenzyl)-N-(3-chloro-4-methoxy-phenyl)hexahydropyrimidine-1-carbothioamide Formula: C19H21Cl2N3OS MolecularWeight: 410.36054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CCCN(C2)CC3=CC=CC=C3Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CCCN(C2)CC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C19H21Cl2N3OS/c1-25-18-8-7-15(11-17(18)21)22-19(26)24-10-4-9-23(13-24)12-14-5-2-3-6-16(14)20/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,22,26)