1-(3-bromophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-(3-bromophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C14H16BrN4S+ MolecularWeight: 352.27264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCCNC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCCNC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H15BrN4S/c15-11-4-3-5-12(10-11)19-14(20)18-9-8-17-13-6-1-2-7-16-13/h1-7,10H,8-9H2,(H,16,17)(H2,18,19,20)/p+1