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

Systemtic Name: 1-(4-butylphenyl)-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(3-pyridylmethyl)thiourea CAS Name: 1-(4-butylphenyl)-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(3-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=CN=CC=C2

Isomeric SMILES

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

InChI

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