S-[3-azanyl-2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-azanyl-2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-amino-2-[2-morpholinoethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-amino-2-[2-(4-morpholinyl)ethyl-[4-(phenylthio)phenyl]sulfonylamino]-3-oxopropyl] ester IUPAC Name: S-[3-amino-2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonylamino]-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-amino-3-keto-2-[2-morpholinoethyl-[4-(phenylthio)phenyl]sulfonyl-amino]propyl] ester Formula: C23H29N3O5S3 MolecularWeight: 523.68846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)N)N(CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(C(=O)N)N(CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S3/c1-18(27)32-17-22(23(24)28)26(12-11-25-13-15-31-16-14-25)34(29,30)21-9-7-20(8-10-21)33-19-5-3-2-4-6-19/h2-10,22H,11-17H2,1H3,(H2,24,28)