methyl 5-(diethylcarbamoyl)-4-methyl-2-[(9H-xanthen-9-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(9H-xanthen-9-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(9H-xanthene-9-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[[oxo(9H-xanthen-9-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(9H-xanthene-9-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(9H-xanthene-9-carbonylamino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C27H28N4O5S2 MolecularWeight: 552.66502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)OC)C

InChI

InChI=1S/C27H28N4O5S2/c1-5-31(6-2)25(33)22-15(3)20(26(34)35-4)24(38-22)28-27(37)30-29-23(32)21-16-11-7-9-13-18(16)36-19-14-10-8-12-17(19)21/h7-14,21H,5-6H2,1-4H3,(H,29,32)(H2,28,30,37)