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

Systemtic Name: methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(9,10-dioxo-1-anthryl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(9,10-dioxo-1-anthracenyl)amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(9,10-dioxoanthracen-1-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(9,10-diketo-1-anthryl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H18N2O4S2 MolecularWeight: 450.53002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)OC

InChI

InChI=1S/C23H18N2O4S2/c1-3-12-11-16(22(28)29-2)21(31-12)25-23(30)24-17-10-6-9-15-18(17)20(27)14-8-5-4-7-13(14)19(15)26/h4-11H,3H2,1-2H3,(H2,24,25,30)