methyl 3-[(4-methoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(4-methoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(4-methoxybenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 4-morpholino-3-(p-anisoylthiocarbamoylamino)benzoic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

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