methyl 3-[[(4-hexoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(4-hexoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(4-hexoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-hexoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(4-hexoxybenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C23H27N3O5S/c1-3-4-5-6-14-31-19-12-10-16(11-13-19)21(28)25-26-23(32)24-20(27)17-8-7-9-18(15-17)22(29)30-2/h7-13,15H,3-6,14H2,1-2H3,(H,25,28)(H2,24,26,27,32)