3-phenylpropyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-morpholinosulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O6S2/c28-22(12-13-23(29)33-16-4-7-19-5-2-1-3-6-19)26-24(34)25-20-8-10-21(11-9-20)35(30,31)27-14-17-32-18-15-27/h1-3,5-6,8-11H,4,7,12-18H2,(H2,25,26,28,34)