methyl 3-[(4-carbamothioylphenyl)carbonylamino]-4-(naphthalen-2-ylsulfonylamino)benzoate

Systemtic Name: methyl 3-[(4-carbamothioylphenyl)carbonylamino]-4-(naphthalen-2-ylsulfonylamino)benzoate Openeye Name: methyl 3-[(4-carbamothioylbenzoyl)amino]-4-(2-naphthylsulfonylamino)benzoate CAS Name: 3-[[(4-carbamothioylphenyl)-oxomethyl]amino]-4-(2-naphthalenylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-carbamothioylbenzoyl)amino]-4-(naphthalen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-naphthylsulfonylamino)-3-[(4-thiocarbamoylbenzoyl)amino]benzoic acid methyl ester Formula: C26H21N3O5S2 MolecularWeight: 519.59204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=C(C=C4)C(=S)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=C(C=C4)C(=S)N

InChI

InChI=1S/C26H21N3O5S2/c1-34-26(31)20-11-13-22(23(15-20)28-25(30)18-8-6-17(7-9-18)24(27)35)29-36(32,33)21-12-10-16-4-2-3-5-19(16)14-21/h2-15,29H,1H3,(H2,27,35)(H,28,30)