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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]-[(S)-(4-ethylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]-[(S)-(4-ethylphenyl)-(2-thienyl)methyl]ammonium CAS Name: [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [2-(cyclopentylcarbamoylamino)-2-keto-ethyl]-[(S)-(4-ethylphenyl)-(2-thienyl)methyl]ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C2=CC=CS2)[NH2+]CC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C21H27N3O2S/c1-2-15-9-11-16(12-10-15)20(18-8-5-13-27-18)22-14-19(25)24-21(26)23-17-6-3-4-7-17/h5,8-13,17,20,22H,2-4,6-7,14H2,1H3,(H2,23,24,25,26)/p+1/t20-/m0/s1