1-(3-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea

Systemtic Name: 1-(3-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Openeye Name: 1-(3-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea CAS Name: 1-(3-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea IUPAC Name: 1-(3-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Traditional Name: 1-(3-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Formula: C16H15BrN2O2S MolecularWeight: 379.2715

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=S)NC3=CC(=CC=C3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=S)NC3=CC(=CC=C3)Br)OC1

InChI

InChI=1S/C16H15BrN2O2S/c17-11-3-1-4-12(9-11)18-16(22)19-13-5-6-14-15(10-13)21-8-2-7-20-14/h1,3-6,9-10H,2,7-8H2,(H2,18,19,22)