N-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(9,10-dioxo-1-anthryl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(9,10-dioxo-1-anthracenyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(9,10-dioxoanthracen-1-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(9,10-diketo-1-anthryl)thiocarbamoyl]-piperonylamide Formula: C23H14N2O5S MolecularWeight: 430.43266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H14N2O5S/c26-20-13-4-1-2-5-14(13)21(27)19-15(20)6-3-7-16(19)24-23(31)25-22(28)12-8-9-17-18(10-12)30-11-29-17/h1-10H,11H2,(H2,24,25,28,31)