N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide

Systemtic Name: N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide Openeye Name: N-[(1S)-2-(cyclohexylamino)-1-(3-methyl-2-thienyl)-2-oxo-ethyl]-N-(m-tolyl)pyrazine-2-carboxamide CAS Name: N-[(1S)-2-(cyclohexylamino)-1-(3-methyl-2-thiophenyl)-2-oxoethyl]-N-(3-methylphenyl)-2-pyrazinecarboxamide IUPAC Name: N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide Traditional Name: N-[(1S)-2-(cyclohexylamino)-2-keto-1-(3-methyl-2-thienyl)ethyl]-N-(m-tolyl)pyrazinamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(C2=C(C=CS2)C)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4

Isomeric SMILES

CC1=CC(=CC=C1)N([C@H](C2=C(C=CS2)C)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C25H28N4O2S/c1-17-7-6-10-20(15-17)29(25(31)21-16-26-12-13-27-21)22(23-18(2)11-14-32-23)24(30)28-19-8-4-3-5-9-19/h6-7,10-16,19,22H,3-5,8-9H2,1-2H3,(H,28,30)/t22-/m1/s1