[4-[[2-ethyl-5-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[2-ethyl-5-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-ethyl-5-(thiophene-2-carbonylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-ethyl-5-[[oxo(thiophen-2-yl)methyl]amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-ethyl-5-(thiophene-2-carbonylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[2-ethyl-5-(2-thenoylamino)anilino]-4-keto-butyl]ammonium Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)CCC[NH3+]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C17H21N3O2S/c1-2-12-7-8-13(19-17(22)15-5-4-10-23-15)11-14(12)20-16(21)6-3-9-18/h4-5,7-8,10-11H,2-3,6,9,18H2,1H3,(H,19,22)(H,20,21)/p+1