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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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