1-(2-cyano-4,5-dimethoxy-phenyl)-3-[(3,4-dichlorophenyl)methyl]thiourea

Systemtic Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-[(3,4-dichlorophenyl)methyl]thiourea Openeye Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-[(3,4-dichlorophenyl)methyl]thiourea CAS Name: 1-(2-cyano-4,5-dimethoxyphenyl)-3-[(3,4-dichlorophenyl)methyl]thiourea IUPAC Name: 1-(2-cyano-4,5-dimethoxyphenyl)-3-[(3,4-dichlorophenyl)methyl]thiourea Traditional Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-(3,4-dichlorobenzyl)thiourea Formula: C17H15Cl2N3O2S MolecularWeight: 396.2909

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)OC

InChI

InChI=1S/C17H15Cl2N3O2S/c1-23-15-6-11(8-20)14(7-16(15)24-2)22-17(25)21-9-10-3-4-12(18)13(19)5-10/h3-7H,9H2,1-2H3,(H2,21,22,25)