methyl 3-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[4-(pentanoylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(pentanoylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[4-(valerylamino)benzoyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C22H24N4O5S/c1-3-4-8-18(27)23-17-11-9-14(10-12-17)20(29)25-26-22(32)24-19(28)15-6-5-7-16(13-15)21(30)31-2/h5-7,9-13H,3-4,8H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,32)