methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(9,10-dioxo-1-anthryl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(9,10-dioxo-1-anthracenyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(9,10-dioxoanthracen-1-yl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(9,10-diketo-1-anthryl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C28H20N2O4S2 MolecularWeight: 512.5994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C28H20N2O4S2/c1-15-21(16-9-4-3-5-10-16)23(27(33)34-2)26(36-15)30-28(35)29-20-14-8-13-19-22(20)25(32)18-12-7-6-11-17(18)24(19)31/h3-14H,1-2H3,(H2,29,30,35)