ethyl 4-[(9H-xanthen-9-ylcarbonylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(9H-xanthen-9-ylcarbonylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(9H-xanthene-9-carbonylamino)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo(9H-xanthen-9-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(9H-xanthene-9-carbonylamino)carbamothioylamino]benzoate Traditional Name: 4-[(9H-xanthene-9-carbonylamino)thiocarbamoylamino]benzoic acid ethyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C24H21N3O4S/c1-2-30-23(29)15-11-13-16(14-12-15)25-24(32)27-26-22(28)21-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)21/h3-14,21H,2H2,1H3,(H,26,28)(H2,25,27,32)