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

Systemtic Name: 1-[2-(3-bromanylphenoxy)ethanoylamino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Openeye Name: 1-[[2-(3-bromophenoxy)acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 1-[[2-(3-bromophenoxy)-1-oxoethyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea IUPAC Name: 1-[[2-(3-bromophenoxy)acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Traditional Name: 1-[[2-(3-bromophenoxy)acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NNC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NNC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN3O4S/c18-11-2-1-3-13(8-11)25-10-16(22)20-21-17(26)19-12-4-5-14-15(9-12)24-7-6-23-14/h1-5,8-9H,6-7,10H2,(H,20,22)(H2,19,21,26)