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

Systemtic Name: methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(9,10-dioxo-1-anthryl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(9,10-dioxo-1-anthracenyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(9,10-dioxoanthracen-1-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(9,10-diketo-1-anthryl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H18N2O4S2 MolecularWeight: 498.57282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H18N2O4S2/c1-33-26(32)19-14-21(15-8-3-2-4-9-15)35-25(19)29-27(34)28-20-13-7-12-18-22(20)24(31)17-11-6-5-10-16(17)23(18)30/h2-14H,1H3,(H2,28,29,34)