N-[2-(cyclopentylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide hydrochloride

Systemtic Name: N-[2-(cyclopentylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide hydrochloride Openeye Name: N-[2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide hydrochloride CAS Name: N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)-2-propynamide hydrochloride IUPAC Name: N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide hydrochloride Traditional Name: N-[2-(cyclopentylamino)-2-keto-1-(2-thienyl)ethyl]-N-(3,4-dimethoxyphenyl)propiolamide hydrochloride Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C#C)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)C#C)OC.Cl

InChI

InChI=1S/C22H24N2O4S.ClH/c1-4-20(25)24(16-11-12-17(27-2)18(14-16)28-3)21(19-10-7-13-29-19)22(26)23-15-8-5-6-9-15;/h1,7,10-15,21H,5-6,8-9H2,2-3H3,(H,23,26);1H