methyl 4-(1,2-dihydroacenaphthylen-5-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(1,2-dihydroacenaphthylen-5-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(1,2-dihydroacenaphthylen-5-ylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[[[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1,2-dihydroacenaphthylen-5-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(acenaphthen-5-ylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C22H18N2O3S/c1-27-21(26)16-9-7-15(8-10-16)20(25)24-22(28)23-18-12-11-14-6-5-13-3-2-4-17(18)19(13)14/h2-4,7-12H,5-6H2,1H3,(H2,23,24,25,28)