1-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-[3-(1-imidazolyl)propyl]-3-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)-1-(4-pyridylmethyl)thiourea Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-26-19-5-2-4-18(14-19)23-20(27)25(15-17-6-8-21-9-7-17)12-3-11-24-13-10-22-16-24/h2,4-10,13-14,16H,3,11-12,15H2,1H3,(H,23,27)