2-ethoxy-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 2-ethoxy-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 2-ethoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 2-ethoxy-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-ethoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-ethoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H26N4O3S/c1-3-29-19-11-7-5-9-17(19)20(27)24-22(30)23-18-10-6-4-8-16(18)21(28)26-14-12-25(2)13-15-26/h4-11H,3,12-15H2,1-2H3,(H2,23,24,27,30)