3-nitro-N-[(6-oxidanylnaphthalen-1-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(6-oxidanylnaphthalen-1-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(6-hydroxy-1-naphthyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[(6-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(6-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(=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC(=C4)O)[N+](=O)[O-]

InChI

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