[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-[(5-bromanylthiophen-2-yl)methyl]-prop-2-enyl-azanium

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-[(5-bromanylthiophen-2-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(4-carbamoylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(4-carbamoylanilino)-2-keto-ethyl]ammonium Formula: C17H19BrN3O2S+ MolecularWeight: 409.32066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O2S/c1-2-9-21(10-14-7-8-15(18)24-14)11-16(22)20-13-5-3-12(4-6-13)17(19)23/h2-8H,1,9-11H2,(H2,19,23)(H,20,22)/p+1