3-(5-chloranyl-2-methyl-phenyl)-1-(3-methylbutyl)-1-(1-pyridin-2-ylethyl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(3-methylbutyl)-1-(1-pyridin-2-ylethyl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-isopentyl-1-[1-(2-pyridyl)ethyl]thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-(3-methylbutyl)-1-[1-(2-pyridinyl)ethyl]thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(3-methylbutyl)-1-(1-pyridin-2-ylethyl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-isoamyl-1-[1-(2-pyridyl)ethyl]thiourea Formula: C20H26ClN3S MolecularWeight: 375.95854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC(C)C)C(C)C2=CC=CC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC(C)C)C(C)C2=CC=CC=N2

InChI

InChI=1S/C20H26ClN3S/c1-14(2)10-12-24(16(4)18-7-5-6-11-22-18)20(25)23-19-13-17(21)9-8-15(19)3/h5-9,11,13-14,16H,10,12H2,1-4H3,(H,23,25)