3-(2-ethyl-6-methyl-phenyl)-1-(3-methylbutyl)-1-(1-pyridin-4-ylethyl)thiourea

Systemtic Name: 3-(2-ethyl-6-methyl-phenyl)-1-(3-methylbutyl)-1-(1-pyridin-4-ylethyl)thiourea Openeye Name: 3-(2-ethyl-6-methyl-phenyl)-1-isopentyl-1-[1-(4-pyridyl)ethyl]thiourea CAS Name: 3-(2-ethyl-6-methylphenyl)-1-(3-methylbutyl)-1-(1-pyridin-4-ylethyl)thiourea IUPAC Name: 3-(2-ethyl-6-methylphenyl)-1-(3-methylbutyl)-1-(1-pyridin-4-ylethyl)thiourea Traditional Name: 3-(2-ethyl-6-methyl-phenyl)-1-isoamyl-1-[1-(4-pyridyl)ethyl]thiourea Formula: C22H31N3S MolecularWeight: 369.56664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CCC(C)C)C(C)C2=CC=NC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CCC(C)C)C(C)C2=CC=NC=C2)C

InChI

InChI=1S/C22H31N3S/c1-6-19-9-7-8-17(4)21(19)24-22(26)25(15-12-16(2)3)18(5)20-10-13-23-14-11-20/h7-11,13-14,16,18H,6,12,15H2,1-5H3,(H,24,26)