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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-28-13-3-12-22-18(25)14-8-10-17(11-9-14)23-21(30)24-19(26)15-4-6-16(7-5-15)20(27)29-2/h4-11H,3,12-13H2,1-2H3,(H,22,25)(H2,23,24,26,30)