propyl 5-[(2-methylphenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[(2-methylphenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(2-methylbenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(2-methylbenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 2-morpholino-5-(o-toluoylthiocarbamoylamino)benzoic acid propyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2C)N3CCOCC3

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2C)N3CCOCC3

InChI

InChI=1S/C23H27N3O4S/c1-3-12-30-22(28)19-15-17(8-9-20(19)26-10-13-29-14-11-26)24-23(31)25-21(27)18-7-5-4-6-16(18)2/h4-9,15H,3,10-14H2,1-2H3,(H2,24,25,27,31)