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

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-3-nitro-4-piperidino-benzamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C4C=CC=C5C4=C(CC5)C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C4C=CC=C5C4=C(CC5)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O3S/c30-24(18-10-12-21(22(15-18)29(31)32)28-13-2-1-3-14-28)27-25(33)26-20-11-9-17-8-7-16-5-4-6-19(20)23(16)17/h4-6,9-12,15H,1-3,7-8,13-14H2,(H2,26,27,30,33)