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

Systemtic Name: 3-(4-chloranyl-2-methoxy-phenyl)-1-(phenylmethyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-chloro-2-methoxy-phenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 3-(4-chloro-2-methoxyphenyl)-1-(phenylmethyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-chloro-2-methoxyphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(4-chloro-2-methoxy-phenyl)-1-(2-pyridylmethyl)thiourea Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C21H20ClN3OS/c1-26-20-13-17(22)10-11-19(20)24-21(27)25(14-16-7-3-2-4-8-16)15-18-9-5-6-12-23-18/h2-13H,14-15H2,1H3,(H,24,27)