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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O2S/c1-13-6-4-7-17(15(13)3)22-20(27)24-23-19(25)8-5-11-26-18-10-9-16(21)12-14(18)2/h4,6-7,9-10,12H,5,8,11H2,1-3H3,(H,23,25)(H2,22,24,27)