1-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea

Systemtic Name: 1-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Openeye Name: 1-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 1-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea IUPAC Name: 1-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Traditional Name: 1-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22ClN3O4S/c1-13-11-14(21)4-6-16(13)26-8-2-3-19(25)23-24-20(29)22-15-5-7-17-18(12-15)28-10-9-27-17/h4-7,11-12H,2-3,8-10H2,1H3,(H,23,25)(H2,22,24,29)