1-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-[2-(cyclohexen-1-yl)ethyl]thiourea

Systemtic Name: 1-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-[2-(cyclohexen-1-yl)ethyl]thiourea Openeye Name: 1-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-[2-(cyclohexen-1-yl)ethyl]thiourea CAS Name: 1-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-3-[2-(1-cyclohexenyl)ethyl]thiourea IUPAC Name: 1-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-[2-(cyclohexen-1-yl)ethyl]thiourea Traditional Name: 1-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-[2-(cyclohexen-1-yl)ethyl]thiourea Formula: C20H28ClN3O2S MolecularWeight: 409.97322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=S)NCCC2=CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=S)NCCC2=CCCCC2

InChI

InChI=1S/C20H28ClN3O2S/c1-15-14-17(21)9-10-18(15)26-13-5-8-19(25)23-24-20(27)22-12-11-16-6-3-2-4-7-16/h6,9-10,14H,2-5,7-8,11-13H2,1H3,(H,23,25)(H2,22,24,27)