methyl 2-[(9H-xanthen-9-ylcarbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(9H-xanthen-9-ylcarbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(9H-xanthene-9-carbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[oxo(9H-xanthen-9-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(9H-xanthene-9-carbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(9H-xanthene-9-carbonylamino)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C24H21N3O4S2/c1-30-23(29)20-15-9-6-12-18(15)33-22(20)25-24(32)27-26-21(28)19-13-7-2-4-10-16(13)31-17-11-5-3-8-14(17)19/h2-5,7-8,10-11,19H,6,9,12H2,1H3,(H,26,28)(H2,25,27,32)