ethyl 3-(4-carbamothioylphenyl)-2-[2-[(4-carbamothioylphenyl)sulfonylamino]ethanoylamino]propanoate

Systemtic Name: ethyl 3-(4-carbamothioylphenyl)-2-[2-[(4-carbamothioylphenyl)sulfonylamino]ethanoylamino]propanoate Openeye Name: ethyl 3-(4-carbamothioylphenyl)-2-[[2-[(4-carbamothioylphenyl)sulfonylamino]acetyl]amino]propanoate CAS Name: 3-(4-carbamothioylphenyl)-2-[[2-[(4-carbamothioylphenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-carbamothioylphenyl)-2-[[2-[(4-carbamothioylphenyl)sulfonylamino]acetyl]amino]propanoate Traditional Name: 3-(4-thiocarbamoylphenyl)-2-[[2-[(4-thiocarbamoylphenyl)sulfonylamino]acetyl]amino]propionic acid ethyl ester Formula: C21H24N4O5S3 MolecularWeight: 508.63406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C(=S)N)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C(=S)N)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C21H24N4O5S3/c1-2-30-21(27)17(11-13-3-5-14(6-4-13)19(22)31)25-18(26)12-24-33(28,29)16-9-7-15(8-10-16)20(23)32/h3-10,17,24H,2,11-12H2,1H3,(H2,22,31)(H2,23,32)(H,25,26)