1-(3-imidazol-1-ylpropyl)-3-(2-methoxy-5-methyl-phenyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-3-(2-methoxy-5-methyl-phenyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(3-imidazol-1-ylpropyl)-3-(2-methoxy-5-methyl-phenyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-[3-(1-imidazolyl)propyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-3-(2-methoxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-(2-methoxy-5-methyl-phenyl)-1-(4-pyridylmethyl)thiourea Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-17-4-5-20(27-2)19(14-17)24-21(28)26(15-18-6-8-22-9-7-18)12-3-11-25-13-10-23-16-25/h4-10,13-14,16H,3,11-12,15H2,1-2H3,(H,24,28)