1-(3-bromophenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea

Systemtic Name: 1-(3-bromophenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Openeye Name: 1-(3-bromophenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea CAS Name: 1-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Traditional Name: 1-(3-bromophenyl)-3-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)thiourea Formula: C14H21BrN5OS2+ MolecularWeight: 419.38344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NNC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NNC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H20BrN5OS2/c15-11-2-1-3-12(10-11)17-14(23)19-18-13(22)16-4-5-20-6-8-21-9-7-20/h1-3,10H,4-9H2,(H2,16,18,22)(H2,17,19,23)/p+1