ethyl 4-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[(9,10-dioxo-1-anthryl)carbamothioylamino]benzoate CAS Name: 4-[[[(9,10-dioxo-1-anthracenyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(9,10-dioxoanthracen-1-yl)carbamothioylamino]benzoate Traditional Name: 4-[(9,10-diketo-1-anthryl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C24H18N2O4S MolecularWeight: 430.47572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H18N2O4S/c1-2-30-23(29)14-10-12-15(13-11-14)25-24(31)26-19-9-5-8-18-20(19)22(28)17-7-4-3-6-16(17)21(18)27/h3-13H,2H2,1H3,(H2,25,26,31)