3,6-bis(chloranyl)-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-3,6-dichloro-benzothiophene-2-carboxamide Formula: C22H14Cl2N2OS2 MolecularWeight: 457.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H14Cl2N2OS2/c23-13-7-8-15-17(10-13)29-20(19(15)24)21(27)26-22(28)25-16-9-6-12-5-4-11-2-1-3-14(16)18(11)12/h1-3,6-10H,4-5H2,(H2,25,26,27,28)