6-azanyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 6-azanyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide Openeye Name: 6-amino-N-[1-[[(1R)-1-benzyl-2-(3-morpholinopropylamino)-2-oxo-ethyl]carbamoyl]cyclopentyl]benzothiophene-2-carboxamide CAS Name: 6-amino-N-[1-[[[(2R)-1-[3-(4-morpholinyl)propylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]cyclopentyl]-1-benzothiophene-2-carboxamide IUPAC Name: 6-amino-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide Traditional Name: 6-amino-N-[1-[[(1R)-1-benzyl-2-keto-2-(3-morpholinopropylamino)ethyl]carbamoyl]cyclopentyl]benzothiophene-2-carboxamide Formula: C31H39N5O4S MolecularWeight: 577.73746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCN3CCOCC3)NC(=O)C4=CC5=C(S4)C=C(C=C5)N

Isomeric SMILES

C1CCC(C1)(C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCCCN3CCOCC3)NC(=O)C4=CC5=C(S4)C=C(C=C5)N

InChI

InChI=1S/C31H39N5O4S/c32-24-10-9-23-20-27(41-26(23)21-24)29(38)35-31(11-4-5-12-31)30(39)34-25(19-22-7-2-1-3-8-22)28(37)33-13-6-14-36-15-17-40-18-16-36/h1-3,7-10,20-21,25H,4-6,11-19,32H2,(H,33,37)(H,34,39)(H,35,38)/t25-/m1/s1