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

Systemtic Name: 1-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Openeye Name: 1-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 1-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea IUPAC Name: 1-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Traditional Name: 1-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4S/c1-11-8-12(19)2-4-14(11)26-10-17(23)21-22-18(27)20-13-3-5-15-16(9-13)25-7-6-24-15/h2-5,8-9H,6-7,10H2,1H3,(H,21,23)(H2,20,22,27)