3-(4-butyl-2-methyl-phenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(4-butyl-2-methyl-phenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-butyl-2-methyl-phenyl)-1-(2-cyanoethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-butyl-2-methylphenyl)-1-(2-cyanoethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-butyl-2-methylphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-butyl-2-methyl-phenyl)-1-(2-cyanoethyl)-1-(3-pyridylmethyl)thiourea Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4S/c1-3-4-7-18-9-10-20(17(2)14-18)24-21(26)25(13-6-11-22)16-19-8-5-12-23-15-19/h5,8-10,12,14-15H,3-4,6-7,13,16H2,1-2H3,(H,24,26)