methyl 3-[4-(ethylcarbamothioylamino)phenyl]-2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]propanoate

Systemtic Name: methyl 3-[4-(ethylcarbamothioylamino)phenyl]-2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]propanoate Openeye Name: methyl 3-[4-(ethylcarbamothioylamino)phenyl]-2-[p-tolylsulfonyl(pyrrolidine-2-carbonyl)amino]propanoate CAS Name: 3-[4-[[ethylamino(sulfanylidene)methyl]amino]phenyl]-2-[(4-methylphenyl)sulfonyl-[oxo(2-pyrrolidinyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(ethylcarbamothioylamino)phenyl]-2-[(4-methylphenyl)sulfonyl-(pyrrolidine-2-carbonyl)amino]propanoate Traditional Name: 3-[4-(ethylthiocarbamoylamino)phenyl]-2-[prolyl(tosyl)amino]propionic acid methyl ester Formula: C25H32N4O5S2 MolecularWeight: 532.67538

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC=C(C=C1)CC(C(=O)OC)N(C(=O)C2CCCN2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCNC(=S)NC1=CC=C(C=C1)CC(C(=O)OC)N(C(=O)C2CCCN2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H32N4O5S2/c1-4-26-25(35)28-19-11-9-18(10-12-19)16-22(24(31)34-3)29(23(30)21-6-5-15-27-21)36(32,33)20-13-7-17(2)8-14-20/h7-14,21-22,27H,4-6,15-16H2,1-3H3,(H2,26,28,35)