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

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-(3-pyridylmethyl)thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-(3-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=CN=CC=C2)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NCC2=CN=CC=C2)C

InChI

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