propan-2-yl 4-(3-morpholin-4-ylpropylcarbamothioylamino)benzoate

Systemtic Name: propan-2-yl 4-(3-morpholin-4-ylpropylcarbamothioylamino)benzoate Openeye Name: isopropyl 4-(3-morpholinopropylcarbamothioylamino)benzoate CAS Name: 4-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-morpholin-4-ylpropylcarbamothioylamino)benzoate Traditional Name: 4-(3-morpholinopropylthiocarbamoylamino)benzoic acid isopropyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2

InChI

InChI=1S/C18H27N3O3S/c1-14(2)24-17(22)15-4-6-16(7-5-15)20-18(25)19-8-3-9-21-10-12-23-13-11-21/h4-7,14H,3,8-13H2,1-2H3,(H2,19,20,25)