N-[[carbamothioyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]amino]carbamothioyl]benzamide

Systemtic Name: N-[[carbamothioyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]amino]carbamothioyl]benzamide Openeye Name: N-[[carbamothioyl-[3-[3-(1-piperidylmethyl)phenoxy]propyl]amino]carbamothioyl]benzamide CAS Name: N-[[2-carbamothioyl-2-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]hydrazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[carbamothioyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]amino]carbamothioyl]benzamide Traditional Name: N-[[3-[3-(piperidinomethyl)phenoxy]propyl-thiocarbamoyl-amino]thiocarbamoyl]benzamide Formula: C24H31N5O2S2 MolecularWeight: 485.66524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCN(C(=S)N)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCN(C(=S)N)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H31N5O2S2/c25-23(32)29(27-24(33)26-22(30)20-10-3-1-4-11-20)15-8-16-31-21-12-7-9-19(17-21)18-28-13-5-2-6-14-28/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H2,25,32)(H2,26,27,30,33)