N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-methylquinolin-4-yl)ethanediamide

Systemtic Name: N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-methylquinolin-4-yl)ethanediamide Openeye Name: N-[(2S)-2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-N'-(2-methyl-4-quinolyl)oxamide CAS Name: N-[(2S)-2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-N'-(2-methyl-4-quinolinyl)oxamide IUPAC Name: N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylquinolin-4-yl)oxamide Traditional Name: N-[(2S)-2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-N'-(2-methyl-4-quinolyl)oxamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(=O)NCC(C3=CSC=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(=O)NC[C@H](C3=CSC=C3)N4CCN(CC4)C

InChI

InChI=1S/C23H27N5O2S/c1-16-13-20(18-5-3-4-6-19(18)25-16)26-23(30)22(29)24-14-21(17-7-12-31-15-17)28-10-8-27(2)9-11-28/h3-7,12-13,15,21H,8-11,14H2,1-2H3,(H,24,29)(H,25,26,30)/t21-/m1/s1