3-(4-chloranyl-3-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(4-chloranyl-3-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(4-chloro-3-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(4-chloro-3-methoxyphenyl)-1-[3-(1-imidazolyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(4-chloro-3-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(4-chloro-3-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C20H22ClN5OS/c1-27-19-13-17(3-4-18(19)21)24-20(28)26(14-16-5-7-22-8-6-16)11-2-10-25-12-9-23-15-25/h3-9,12-13,15H,2,10-11,14H2,1H3,(H,24,28)