4-tert-butyl-N-[1-(3-methoxypropylcarbamothioyl)piperidin-4-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[1-(3-methoxypropylcarbamothioyl)piperidin-4-yl]benzamide Openeye Name: 4-tert-butyl-N-[1-(3-methoxypropylcarbamothioyl)-4-piperidyl]benzamide CAS Name: 4-tert-butyl-N-[1-[(3-methoxypropylamino)-sulfanylidenemethyl]-4-piperidinyl]benzamide IUPAC Name: 4-tert-butyl-N-[1-(3-methoxypropylcarbamothioyl)piperidin-4-yl]benzamide Traditional Name: 4-tert-butyl-N-[1-(3-methoxypropylthiocarbamoyl)-4-piperidyl]benzamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=S)NCCCOC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=S)NCCCOC

InChI

InChI=1S/C21H33N3O2S/c1-21(2,3)17-8-6-16(7-9-17)19(25)23-18-10-13-24(14-11-18)20(27)22-12-5-15-26-4/h6-9,18H,5,10-15H2,1-4H3,(H,22,27)(H,23,25)