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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3S/c1-2-3-4-14-5-7-16(8-6-14)20-17(21)19-13-15-9-11-18-12-10-15/h5-12H,2-4,13H2,1H3,(H2,19,20,21)