S-[2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] thiophene-2-carbothioate

Systemtic Name: S-[2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] thiophene-2-carbothioate Openeye Name: S-[2-[2-morpholinoethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] thiophene-2-carbothioate CAS Name: 2-thiophenecarbothioic acid S-[2-[2-(4-morpholinyl)ethyl-[4-(phenylthio)phenyl]sulfonylamino]propyl] ester IUPAC Name: S-[2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonylamino]propyl] thiophene-2-carbothioate Traditional Name: thiophene-2-carbothioic acid S-[2-[2-morpholinoethyl-[4-(phenylthio)phenyl]sulfonyl-amino]propyl] ester Formula: C26H30N2O4S4 MolecularWeight: 562.7874

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CS1)N(CCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(CSC(=O)C1=CC=CS1)N(CCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4S4/c1-21(20-34-26(29)25-8-5-19-33-25)28(14-13-27-15-17-32-18-16-27)36(30,31)24-11-9-23(10-12-24)35-22-6-3-2-4-7-22/h2-12,19,21H,13-18,20H2,1H3