N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-25-13-15-26(16-14-25)21(28)18-9-5-6-10-19(18)23-22(29)24-20(27)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H2,23,24,27,29)