methyl 4-[[4-[(4-methoxyphenyl)carbamoyl]phenoxy]carbothioyl-prop-2-ynyl-amino]benzoate

Systemtic Name: methyl 4-[[4-[(4-methoxyphenyl)carbamoyl]phenoxy]carbothioyl-prop-2-ynyl-amino]benzoate Openeye Name: methyl 4-[[4-[(4-methoxyphenyl)carbamoyl]phenoxy]carbothioyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[[4-[(4-methoxyanilino)-oxomethyl]phenoxy]-sulfanylidenemethyl]-prop-2-ynylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-methoxyphenyl)carbamoyl]phenoxy]carbothioyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[4-[(4-methoxyphenyl)carbamoyl]phenoxy]carbothioyl-propargyl-amino]benzoic acid methyl ester Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=S)N(CC#C)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=S)N(CC#C)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H22N2O5S/c1-4-17-28(21-11-5-19(6-12-21)25(30)32-3)26(34)33-23-13-7-18(8-14-23)24(29)27-20-9-15-22(31-2)16-10-20/h1,5-16H,17H2,2-3H3,(H,27,29)