N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[3-(1H-imidazol-5-yl)propylcarbamothioylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxamide

Systemtic Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[3-(1H-imidazol-5-yl)propylcarbamothioylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxamide Openeye Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[3-(1H-imidazol-5-yl)propylcarbamothioylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxamide CAS Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[[[3-(1H-imidazol-5-yl)propylamino]-sulfanylidenemethyl]amino]-3-(4-methoxyphenyl)-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[3-(1H-imidazol-5-yl)propylcarbamothioylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxamide Traditional Name: N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[3-(1H-imidazol-5-yl)propylthiocarbamoylamino]-3-(4-methoxyphenyl)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)NCCCC3=CN=CN3)C4CCCCC4

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)OC)NC(=S)NCCCC3=CN=CN3)C4CCCCC4

InChI

InChI=1S/C33H50N6O3S/c1-32(2,3)38-30(41)33(25-9-6-5-7-10-25)16-19-39(20-17-33)29(40)28(21-24-12-14-27(42-4)15-13-24)37-31(43)35-18-8-11-26-22-34-23-36-26/h12-15,22-23,25,28H,5-11,16-21H2,1-4H3,(H,34,36)(H,38,41)(H2,35,37,43)/t28-/m1/s1