3-(4-butylphenyl)-1,1-bis(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-(4-butylphenyl)-1,1-bis(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(4-butylphenyl)-1,1-bis(2-pyridylmethyl)thiourea CAS Name: 3-(4-butylphenyl)-1,1-bis(2-pyridinylmethyl)thiourea IUPAC Name: 3-(4-butylphenyl)-1,1-bis(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(4-butylphenyl)-1,1-bis(2-pyridylmethyl)thiourea Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=N2)CC3=CC=CC=N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=N2)CC3=CC=CC=N3

InChI

InChI=1S/C23H26N4S/c1-2-3-8-19-11-13-20(14-12-19)26-23(28)27(17-21-9-4-6-15-24-21)18-22-10-5-7-16-25-22/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,26,28)