N-[1-[[(2S)-1-(cyclopropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[[(2S)-1-(cyclopropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[[(1S)-1-benzyl-2-(cyclopropylamino)-2-oxo-ethyl]carbamoyl]cyclohexyl]benzothiophene-2-carboxamide CAS Name: N-[1-[[[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]cyclohexyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[(1S)-1-benzyl-2-(cyclopropylamino)-2-keto-ethyl]carbamoyl]cyclohexyl]benzothiophene-2-carboxamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CC3)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(CC1)(C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3CC3)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C28H31N3O3S/c32-25(29-21-13-14-21)22(17-19-9-3-1-4-10-19)30-27(34)28(15-7-2-8-16-28)31-26(33)24-18-20-11-5-6-12-23(20)35-24/h1,3-6,9-12,18,21-22H,2,7-8,13-17H2,(H,29,32)(H,30,34)(H,31,33)/t22-/m0/s1