ethyl 3-[(3-methylsulfanylphenyl)carbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[(3-methylsulfanylphenyl)carbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(3-methylsulfanylphenyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methylsulfanylphenyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[3-(methylthio)phenyl]thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H25N3O3S2/c1-3-27-20(25)15-7-8-19(24-9-11-26-12-10-24)18(13-15)23-21(28)22-16-5-4-6-17(14-16)29-2/h4-8,13-14H,3,9-12H2,1-2H3,(H2,22,23,28)