N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-3-nitro-4-pyrrolidino-benzamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C4C=CC=C5C4=C(CC5)C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C4C=CC=C5C4=C(CC5)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O3S/c29-23(17-9-11-20(21(14-17)28(30)31)27-12-1-2-13-27)26-24(32)25-19-10-8-16-7-6-15-4-3-5-18(19)22(15)16/h3-5,8-11,14H,1-2,6-7,12-13H2,(H2,25,26,29,32)