4-heptoxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: 4-heptoxy-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O2S/c1-2-3-4-5-9-20-32-25-14-12-23(13-15-25)26(31)29-27(33)28-24-16-18-30(19-17-24)21-22-10-7-6-8-11-22/h6-8,10-15,24H,2-5,9,16-21H2,1H3,(H2,28,29,31,33)