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

Systemtic Name: methyl 3-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(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=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

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