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

Systemtic Name: 1-(3-bromophenyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[3-(2-oxo-1-azepanyl)propyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[3-(2-ketoazepan-1-yl)propyl]thiourea Formula: C16H22BrN3OS MolecularWeight: 384.33438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3OS/c17-13-6-4-7-14(12-13)19-16(22)18-9-5-11-20-10-3-1-2-8-15(20)21/h4,6-7,12H,1-3,5,8-11H2,(H2,18,19,22)