(5-bromanylthiophen-2-yl)methyl-[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl]-ethylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-ethylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-[3-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl]-ethyl-ammonium Formula: C19H23BrN3O2S+ MolecularWeight: 437.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

InChI

InChI=1S/C19H22BrN3O2S/c1-2-23(11-16-8-9-17(20)26-16)12-18(24)21-15-5-3-4-13(10-15)19(25)22-14-6-7-14/h3-5,8-10,14H,2,6-7,11-12H2,1H3,(H,21,24)(H,22,25)/p+1