N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

InChI

InChI=1S/C21H24N4O4S/c1-13(2)14-5-7-15(8-6-14)19(27)22-21(30)24-23-20(28)16-10-18(26)25(11-16)12-17-4-3-9-29-17/h3-9,13,16H,10-12H2,1-2H3,(H,23,28)(H2,22,24,27,30)