1-(3-bromophenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(3-bromophenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-(3-bromophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-(3-bromophenyl)-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-(3-bromophenyl)-3-[[2-(2-ketoazepan-1-yl)acetyl]amino]thiourea Formula: C15H19BrN4O2S MolecularWeight: 399.30596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H19BrN4O2S/c16-11-5-4-6-12(9-11)17-15(23)19-18-13(21)10-20-8-3-1-2-7-14(20)22/h4-6,9H,1-3,7-8,10H2,(H,18,21)(H2,17,19,23)