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

Systemtic Name: 3-(4-chloranyl-2-methoxy-phenyl)-1,1-bis(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-chloro-2-methoxy-phenyl)-1,1-bis(3-pyridylmethyl)thiourea CAS Name: 3-(4-chloro-2-methoxyphenyl)-1,1-bis(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-chloro-2-methoxyphenyl)-1,1-bis(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-chloro-2-methoxy-phenyl)-1,1-bis(3-pyridylmethyl)thiourea Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)NC(=S)N(CC2=CN=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)NC(=S)N(CC2=CN=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C20H19ClN4OS/c1-26-19-10-17(21)6-7-18(19)24-20(27)25(13-15-4-2-8-22-11-15)14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,27)