1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea

Systemtic Name: 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea Openeye Name: 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea CAS Name: 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea IUPAC Name: 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea Traditional Name: 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiourea Formula: C13H16BrN3S MolecularWeight: 326.25524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)N(C2=CC=C(C=C2)Br)C(=S)N

Isomeric SMILES

C1CCC(=NCC1)N(C2=CC=C(C=C2)Br)C(=S)N

InChI

InChI=1S/C13H16BrN3S/c14-10-5-7-11(8-6-10)17(13(15)18)12-4-2-1-3-9-16-12/h5-8H,1-4,9H2,(H2,15,18)