3-(4-chloranyl-2,5-dimethoxy-phenyl)-1,1-bis(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-(4-chloranyl-2,5-dimethoxy-phenyl)-1,1-bis(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(4-chloro-2,5-dimethoxy-phenyl)-1,1-bis(2-pyridylmethyl)thiourea CAS Name: 3-(4-chloro-2,5-dimethoxyphenyl)-1,1-bis(2-pyridinylmethyl)thiourea IUPAC Name: 3-(4-chloro-2,5-dimethoxyphenyl)-1,1-bis(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(4-chloro-2,5-dimethoxy-phenyl)-1,1-bis(2-pyridylmethyl)thiourea Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N(CC2=CC=CC=N2)CC3=CC=CC=N3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N(CC2=CC=CC=N2)CC3=CC=CC=N3)OC)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-27-19-12-18(20(28-2)11-17(19)22)25-21(29)26(13-15-7-3-5-9-23-15)14-16-8-4-6-10-24-16/h3-12H,13-14H2,1-2H3,(H,25,29)