propyl 5-(4-methylpentanoylcarbamothioylamino)-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-(4-methylpentanoylcarbamothioylamino)-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-(4-methylpentanoylcarbamothioylamino)-2-morpholino-benzoate CAS Name: 5-[[[(4-methyl-1-oxopentyl)amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-(4-methylpentanoylcarbamothioylamino)-2-morpholin-4-ylbenzoate Traditional Name: 5-(4-methylpentanoylthiocarbamoylamino)-2-morpholino-benzoic acid propyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)CCC(C)C)N2CCOCC2

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)CCC(C)C)N2CCOCC2

InChI

InChI=1S/C21H31N3O4S/c1-4-11-28-20(26)17-14-16(6-7-18(17)24-9-12-27-13-10-24)22-21(29)23-19(25)8-5-15(2)3/h6-7,14-15H,4-5,8-13H2,1-3H3,(H2,22,23,25,29)