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

Systemtic Name: 1-(4-butylphenyl)-3-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(2-pyridylmethyl)thiourea CAS Name: 1-(4-butylphenyl)-3-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(2-pyridylmethyl)thiourea Formula: C17H21N3S MolecularWeight: 299.43374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=N2

InChI

InChI=1S/C17H21N3S/c1-2-3-6-14-8-10-15(11-9-14)20-17(21)19-13-16-7-4-5-12-18-16/h4-5,7-12H,2-3,6,13H2,1H3,(H2,19,20,21)