9-oxidanylidene-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]xanthene-3-carboxamide

Systemtic Name: 9-oxidanylidene-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]xanthene-3-carboxamide Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethylcarbamothioyl]-9-oxo-xanthene-3-carboxamide CAS Name: 9-oxo-N-[[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]-sulfanylidenemethyl]-3-xanthenecarboxamide IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-9-oxoxanthene-3-carboxamide Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethylthiocarbamoyl]-9-keto-xanthene-3-carboxamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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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=C4O3)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CCNC(=S)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3S/c33-27-23-8-4-5-9-25(23)35-26-18-22(10-11-24(26)27)28(34)31-29(36)30-15-12-20-13-16-32(17-14-20)19-21-6-2-1-3-7-21/h1-11,18,20H,12-17,19H2,(H2,30,31,34,36)