N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[2-hydroxyethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[benzyl(2-hydroxyethyl)thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)N(CCO)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)N(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c25-15-14-23(16-17-6-2-1-3-7-17)21(29)22-20(26)18-8-10-19(11-9-18)30(27,28)24-12-4-5-13-24/h1-3,6-11,25H,4-5,12-16H2,(H,22,26,29)