methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(9,10-dioxo-1-anthryl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(9,10-dioxo-1-anthracenyl)amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(9,10-dioxoanthracen-1-yl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(9,10-diketo-1-anthryl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H16N2O4S2 MolecularWeight: 436.50344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)OC

InChI

InChI=1S/C22H16N2O4S2/c1-11-10-15(21(27)28-2)20(30-11)24-22(29)23-16-9-5-8-14-17(16)19(26)13-7-4-3-6-12(13)18(14)25/h3-10H,1-2H3,(H2,23,24,29)