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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H20N2O4S2/c1-34-27(33)21-15-17(14-16-8-3-2-4-9-16)36-26(21)30-28(35)29-22-13-7-12-20-23(22)25(32)19-11-6-5-10-18(19)24(20)31/h2-13,15H,14H2,1H3,(H2,29,30,35)