1-(4-butan-2-ylphenyl)-3-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(3-pyridylmethyl)-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(3-pyridylmethyl)-3-(4-sec-butylphenyl)thiourea Formula: C17H21N3S MolecularWeight: 299.43374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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