[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]-[(S)-(4-isopropylphenyl)-(2-thienyl)methyl]ammonium CAS Name: [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [2-(cyclopentylcarbamoylamino)-2-keto-ethyl]-[(S)-p-cumenyl(2-thienyl)methyl]ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](C2=CC=CS2)[NH2+]CC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C22H29N3O2S/c1-15(2)16-9-11-17(12-10-16)21(19-8-5-13-28-19)23-14-20(26)25-22(27)24-18-6-3-4-7-18/h5,8-13,15,18,21,23H,3-4,6-7,14H2,1-2H3,(H2,24,25,26,27)/p+1/t21-/m0/s1