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

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-3-methyl-phenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-3-methyl-phenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[3-(1-imidazolyl)propyl]-3-(4-methoxy-3-methylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-3-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-3-methyl-phenyl)-1-(3-pyridylmethyl)thiourea Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CN=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C21H25N5OS/c1-17-13-19(6-7-20(17)27-2)24-21(28)26(15-18-5-3-8-22-14-18)11-4-10-25-12-9-23-16-25/h3,5-9,12-14,16H,4,10-11,15H2,1-2H3,(H,24,28)