methyl 3-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C25H23N3O5S/c1-3-33-19-13-11-18(12-14-19)26-23(30)20-9-4-5-10-21(20)27-25(34)28-22(29)16-7-6-8-17(15-16)24(31)32-2/h4-15H,3H2,1-2H3,(H,26,30)(H2,27,28,29,34)