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

Systemtic Name: 1-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Openeye Name: 1-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 1-[[2-[(4-bromophenyl)methylthio]-1-oxoethyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea IUPAC Name: 1-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Traditional Name: 1-[[2-[(4-bromobenzyl)thio]acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C18H18BrN3O3S2 MolecularWeight: 468.38782

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O3S2/c19-13-3-1-12(2-4-13)10-27-11-17(23)21-22-18(26)20-14-5-6-15-16(9-14)25-8-7-24-15/h1-6,9H,7-8,10-11H2,(H,21,23)(H2,20,22,26)