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

Systemtic Name: 1-(4-butylphenyl)-3-(2-pyridin-3-ylethyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-[2-(3-pyridyl)ethyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[2-(3-pyridinyl)ethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-(2-pyridin-3-ylethyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-[2-(3-pyridyl)ethyl]thiourea Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCCC2=CN=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCCC2=CN=CC=C2

InChI

InChI=1S/C18H23N3S/c1-2-3-5-15-7-9-17(10-8-15)21-18(22)20-13-11-16-6-4-12-19-14-16/h4,6-10,12,14H,2-3,5,11,13H2,1H3,(H2,20,21,22)