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

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

Systemtic Name:methyl 3-(hexanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate
Openeye Name:methyl 3-(hexanoylcarbamothioylamino)-4-morpholino-benzoate
CAS Name:4-(4-morpholinyl)-3-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester
IUPAC Name:methyl 3-(hexanoylcarbamothioylamino)-4-morpholin-4-ylbenzoate
Traditional Name:3-(caproylthiocarbamoylamino)-4-morpholino-benzoic acid methyl ester
Formula: C19H27N3O4S
MolecularWeight: 393.50038
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H27N3O4S/c1-3-4-5-6-17(23)21-19(27)20-15-13-14(18(24)25-2)7-8-16(15)22-9-11-26-12-10-22/h7-8,13H,3-6,9-12H2,1-2H3,(H2,20,21,23,27)


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