N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-5-nitro-benzothiophene-2-carboxamide Formula: C22H15N3O3S2 MolecularWeight: 433.5028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O3S2/c26-21(19-11-14-10-15(25(27)28)7-9-18(14)30-19)24-22(29)23-17-8-6-13-5-4-12-2-1-3-16(17)20(12)13/h1-3,6-11H,4-5H2,(H2,23,24,26,29)