4-[(2S)-3-cyclohexyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-oxidanylidene-N-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-[(2S)-3-cyclohexyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-oxidanylidene-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: N-benzyl-4-[(1S)-1-(cyclohexylmethyl)-2-oxo-2-(thiazol-2-ylamino)ethyl]-3-oxo-piperazine-1-carboxamide CAS Name: 4-[(2S)-3-cyclohexyl-1-oxo-1-(2-thiazolylamino)propan-2-yl]-3-oxo-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-benzyl-4-[(2S)-3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-oxopiperazine-1-carboxamide Traditional Name: N-benzyl-4-[(1S)-1-(cyclohexylmethyl)-2-keto-2-(thiazol-2-ylamino)ethyl]-3-keto-piperazine-1-carboxamide Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2=NC=CS2)N3CCN(CC3=O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NC2=NC=CS2)N3CCN(CC3=O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O3S/c30-21-17-28(24(32)26-16-19-9-5-2-6-10-19)12-13-29(21)20(15-18-7-3-1-4-8-18)22(31)27-23-25-11-14-33-23/h2,5-6,9-11,14,18,20H,1,3-4,7-8,12-13,15-17H2,(H,26,32)(H,25,27,31)/t20-/m0/s1