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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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