phenethyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-morpholinosulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C23H27N3O6S2 MolecularWeight: 505.60698

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O6S2/c27-21(10-11-22(28)32-15-12-18-4-2-1-3-5-18)25-23(33)24-19-6-8-20(9-7-19)34(29,30)26-13-16-31-17-14-26/h1-9H,10-17H2,(H2,24,25,27,33)