N-[1-[[(2S)-1-(5-azanylpentylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[[(2S)-1-(5-azanylpentylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[[(1S)-2-(5-aminopentylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]cyclohexyl]benzothiophene-2-carboxamide CAS Name: N-[1-[[[(2S)-1-(5-aminopentylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]cyclohexyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[[(2S)-1-(5-aminopentylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[(1S)-2-(5-aminopentylamino)-1-benzyl-2-keto-ethyl]carbamoyl]cyclohexyl]benzothiophene-2-carboxamide Formula: C30H38N4O3S MolecularWeight: 534.71272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCCCN)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)(C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCCCCN)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C30H38N4O3S/c31-18-10-3-11-19-32-27(35)24(20-22-12-4-1-5-13-22)33-29(37)30(16-8-2-9-17-30)34-28(36)26-21-23-14-6-7-15-25(23)38-26/h1,4-7,12-15,21,24H,2-3,8-11,16-20,31H2,(H,32,35)(H,33,37)(H,34,36)/t24-/m0/s1