[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium Openeye Name: allyl-[2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: [2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-prop-2-enyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium Traditional Name: allyl-[2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl]-(2-thenyl)ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+](CC=C)CC2=CC=CS2

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+](CC=C)CC2=CC=CS2

InChI

InChI=1S/C21H27N3O2S/c1-4-12-23(15-19-11-8-13-27-19)16-20(25)22-18-10-7-9-17(14-18)21(26)24(5-2)6-3/h4,7-11,13-14H,1,5-6,12,15-16H2,2-3H3,(H,22,25)/p+1