S-[2-[2-dimethylaminoethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] ethanethioate

Systemtic Name: S-[2-[2-dimethylaminoethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] ethanethioate Openeye Name: S-[2-[2-dimethylaminoethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-dimethylaminoethyl-[4-(phenylthio)phenyl]sulfonylamino]propyl] ester IUPAC Name: S-[2-[2-dimethylaminoethyl-(4-phenylsulfanylphenyl)sulfonylamino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-dimethylaminoethyl-[4-(phenylthio)phenyl]sulfonyl-amino]propyl] ester Formula: C21H28N2O3S3 MolecularWeight: 452.65362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)N(CCN(C)C)S(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(CSC(=O)C)N(CCN(C)C)S(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O3S3/c1-17(16-27-18(2)24)23(15-14-22(3)4)29(25,26)21-12-10-20(11-13-21)28-19-8-6-5-7-9-19/h5-13,17H,14-16H2,1-4H3