methyl 4-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[2-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23N3O5S/c1-28-13-5-12-22-19(26)16-6-3-4-7-17(16)23-21(30)24-18(25)14-8-10-15(11-9-14)20(27)29-2/h3-4,6-11H,5,12-13H2,1-2H3,(H,22,26)(H2,23,24,25,30)