methyl 3-(4-methylpentanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-(4-methylpentanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(4-methylpentanoylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[[(4-methyl-1-oxopentyl)amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(4-methylpentanoylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(4-methylpentanoylthiocarbamoylamino)-4-morpholino-benzoic acid methyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCOCC2

Isomeric SMILES

CC(C)CCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCOCC2

InChI

InChI=1S/C19H27N3O4S/c1-13(2)4-7-17(23)21-19(27)20-15-12-14(18(24)25-3)5-6-16(15)22-8-10-26-11-9-22/h5-6,12-13H,4,7-11H2,1-3H3,(H2,20,21,23,27)