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

Systemtic Name: methyl 3-[(4-carbamothioylphenyl)carbonylamino]-4-(naphthalen-2-ylcarbonylamino)benzoate Openeye Name: methyl 3-[(4-carbamothioylbenzoyl)amino]-4-(naphthalene-2-carbonylamino)benzoate CAS Name: 3-[[(4-carbamothioylphenyl)-oxomethyl]amino]-4-[[2-naphthalenyl(oxo)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-carbamothioylbenzoyl)amino]-4-(naphthalene-2-carbonylamino)benzoate Traditional Name: 4-(2-naphthoylamino)-3-[(4-thiocarbamoylbenzoyl)amino]benzoic acid methyl ester Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H21N3O4S/c1-34-27(33)21-12-13-22(29-26(32)20-11-6-16-4-2-3-5-19(16)14-20)23(15-21)30-25(31)18-9-7-17(8-10-18)24(28)35/h2-15H,1H3,(H2,28,35)(H,29,32)(H,30,31)