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

Systemtic Name: 3-(4-butylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(4-butylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(4-butylphenyl)-1-[3-(1-imidazolyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(4-butylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(4-butylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea Formula: C23H29N5S MolecularWeight: 407.57486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3

InChI

InChI=1S/C23H29N5S/c1-2-3-5-20-6-8-22(9-7-20)26-23(29)28(18-21-10-12-24-13-11-21)16-4-15-27-17-14-25-19-27/h6-14,17,19H,2-5,15-16,18H2,1H3,(H,26,29)