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

Systemtic Name: methyl 4-[[4-(phenylcarbamoyl)phenoxy]carbothioyl-prop-2-ynyl-amino]benzoate Openeye Name: methyl 4-[[4-(phenylcarbamoyl)phenoxy]carbothioyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[[4-[anilino(oxo)methyl]phenoxy]-sulfanylidenemethyl]-prop-2-ynylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(phenylcarbamoyl)phenoxy]carbothioyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[4-(phenylcarbamoyl)phenoxy]carbothioyl-propargyl-amino]benzoic acid methyl ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N(CC#C)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N(CC#C)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H20N2O4S/c1-3-17-27(21-13-9-19(10-14-21)24(29)30-2)25(32)31-22-15-11-18(12-16-22)23(28)26-20-7-5-4-6-8-20/h1,4-16H,17H2,2H3,(H,26,28)