1-(4-butyl-2-methyl-phenyl)-3-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-(2-pyridylmethyl)thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-(2-pyridylmethyl)thiourea Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3S/c1-3-4-7-15-9-10-17(14(2)12-15)21-18(22)20-13-16-8-5-6-11-19-16/h5-6,8-12H,3-4,7,13H2,1-2H3,(H2,20,21,22)