9,10-bis(oxidanylidene)-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]anthracene-2-carboxamide

Systemtic Name: 9,10-bis(oxidanylidene)-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]anthracene-2-carboxamide Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethylcarbamothioyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: 9,10-dioxo-N-[[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]-sulfanylidenemethyl]-2-anthracenecarboxamide IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethylthiocarbamoyl]-9,10-diketo-anthracene-2-carboxamide Formula: C30H29N3O3S MolecularWeight: 511.63456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=S)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CCNC(=S)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O3S/c34-27-23-8-4-5-9-24(23)28(35)26-18-22(10-11-25(26)27)29(36)32-30(37)31-15-12-20-13-16-33(17-14-20)19-21-6-2-1-3-7-21/h1-11,18,20H,12-17,19H2,(H2,31,32,36,37)