[2-[(3-aminocarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [2-[(3-aminocarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-[(3-carbamoyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-[(3-carbamoyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[(3-carbamoyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[(3-carbamoyl-5-phenyl-2-thienyl)amino]-2-keto-ethyl]-p-anisyl-ammonium Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH2+]CC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C[NH2+]CC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H21N3O3S/c1-27-16-9-7-14(8-10-16)12-23-13-19(25)24-21-17(20(22)26)11-18(28-21)15-5-3-2-4-6-15/h2-11,23H,12-13H2,1H3,(H2,22,26)(H,24,25)/p+1