1-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-(3,5-dimethylphenyl)thiourea Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C

InChI

InChI=1S/C20H24ClN3O2S/c1-13-9-14(2)11-17(10-13)22-20(27)24-23-19(25)5-4-8-26-18-7-6-16(21)12-15(18)3/h6-7,9-12H,4-5,8H2,1-3H3,(H,23,25)(H2,22,24,27)