2-[4-[(diphenylcarbamoylamino)methyl]phenoxy]-2-oxidanylidene-ethanoate; thiophene-2-carboximidamide

Systemtic Name: 2-[4-[(diphenylcarbamoylamino)methyl]phenoxy]-2-oxidanylidene-ethanoate; thiophene-2-carboximidamide Openeye Name: 2-[4-[(diphenylcarbamoylamino)methyl]phenoxy]-2-oxo-acetate; thiophene-2-carboxamidine CAS Name: 2-oxo-2-[4-[[[oxo-(N-phenylanilino)methyl]amino]methyl]phenoxy]acetate; 2-thiophenecarboximidamide IUPAC Name: 2-[4-[(diphenylcarbamoylamino)methyl]phenoxy]-2-oxoacetate; thiophene-2-carboximidamide Traditional Name: 2-[4-[(diphenylcarbamoylamino)methyl]phenoxy]-2-keto-acetate; thiophene-2-carboxamidine Formula: C27H23N4O5S- MolecularWeight: 515.56032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)OC(=O)C(=O)[O-].C1=CSC(=C1)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)OC(=O)C(=O)[O-].C1=CSC(=C1)C(=N)N

InChI

InChI=1S/C22H18N2O5.C5H6N2S/c25-20(26)21(27)29-19-13-11-16(12-14-19)15-23-22(28)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18;6-5(7)4-2-1-3-8-4/h1-14H,15H2,(H,23,28)(H,25,26);1-3H,(H3,6,7)/p-1