N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-methoxyphenyl)-2-[2-(1-methylimidazol-4-yl)ethylcarbamothioylamino]propanoyl]piperidine-4-carboxamide

Systemtic Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-methoxyphenyl)-2-[2-(1-methylimidazol-4-yl)ethylcarbamothioylamino]propanoyl]piperidine-4-carboxamide Openeye Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-methoxyphenyl)-2-[2-(1-methylimidazol-4-yl)ethylcarbamothioylamino]propanoyl]piperidine-4-carboxamide CAS Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-methoxyphenyl)-2-[[[2-(1-methyl-4-imidazolyl)ethylamino]-sulfanylidenemethyl]amino]-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-methoxyphenyl)-2-[2-(1-methylimidazol-4-yl)ethylcarbamothioylamino]propanoyl]piperidine-4-carboxamide Traditional Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-methoxyphenyl)-2-[2-(1-methylimidazol-4-yl)ethylthiocarbamoylamino]propanoyl]isonipecotamide Formula: C33H50N6O3S MolecularWeight: 610.8535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OC)NC(=S)NCCC3=CN(C=N3)C)C4CCCCC4

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)OC)NC(=S)NCCC3=CN(C=N3)C)C4CCCCC4

InChI

InChI=1S/C33H50N6O3S/c1-32(2,3)37-30(41)33(25-9-7-6-8-10-25)16-19-39(20-17-33)29(40)28(21-24-11-13-27(42-5)14-12-24)36-31(43)34-18-15-26-22-38(4)23-35-26/h11-14,22-23,25,28H,6-10,15-21H2,1-5H3,(H,37,41)(H2,34,36,43)/t28-/m1/s1