1-[(4-carbamothioylphenyl)methylsulfonyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[(4-carbamothioylphenyl)methylsulfonyl]pyrrolidine-2-carboxamide Openeye Name: 1-[(4-carbamothioylphenyl)methylsulfonyl]pyrrolidine-2-carboxamide CAS Name: 1-[(4-carbamothioylphenyl)methylsulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[(4-carbamothioylphenyl)methylsulfonyl]pyrrolidine-2-carboxamide Traditional Name: 1-(4-thiocarbamoylbenzyl)sulfonylpyrrolidine-2-carboxamide Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=S)N)C(=O)N

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=S)N)C(=O)N

InChI

InChI=1S/C13H17N3O3S2/c14-12(17)11-2-1-7-16(11)21(18,19)8-9-3-5-10(6-4-9)13(15)20/h3-6,11H,1-2,7-8H2,(H2,14,17)(H2,15,20)