3-(4-iodophenyl)-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-iodophenyl)-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-iodophenyl)-N-[(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-iodophenyl)-N-[[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-iodophenyl)-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-iodophenyl)-N-[(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thiocarbamoyl]-1-phenyl-pyrazole-4-carboxamide Formula: C31H31IN6O4S2 MolecularWeight: 742.65011

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC(=O)C4=CN(N=C4C5=CC=C(C=C5)I)C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC(=O)C4=CN(N=C4C5=CC=C(C=C5)I)C6=CC=CC=C6

InChI

InChI=1S/C31H31IN6O4S2/c32-23-10-8-22(9-11-23)29-26(21-38(35-29)24-6-2-1-3-7-24)30(39)34-31(43)33-27-20-25(12-13-28(27)36-14-4-5-15-36)44(40,41)37-16-18-42-19-17-37/h1-3,6-13,20-21H,4-5,14-19H2,(H2,33,34,39,43)