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

Systemtic Name: ethyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H22N2O4S2 MolecularWeight: 526.62598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22N2O4S2/c1-2-35-28(34)22-16-18(15-17-9-4-3-5-10-17)37-27(22)31-29(36)30-23-14-8-13-21-24(23)26(33)20-12-7-6-11-19(20)25(21)32/h3-14,16H,2,15H2,1H3,(H2,30,31,36)