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

Systemtic Name: 3-(4-butylphenyl)-1-methyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-butylphenyl)-1-methyl-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-butylphenyl)-1-methyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-butylphenyl)-1-methyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-butylphenyl)-1-methyl-1-(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)N(C)CC2=CN=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC2=CN=CC=C2

InChI

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