3-nitro-N-[(5-oxidanylnaphthalen-1-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(5-oxidanylnaphthalen-1-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(5-hydroxy-1-naphthyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(5-hydroxy-1-naphthyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=C4O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=C4O)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S/c27-20-8-4-5-15-16(20)6-3-7-17(15)23-22(31)24-21(28)14-9-10-18(19(13-14)26(29)30)25-11-1-2-12-25/h3-10,13,27H,1-2,11-12H2,(H2,23,24,28,31)