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

Systemtic Name: 2-hexoxy-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

InChI

InChI=1S/C26H34N4O3S/c1-3-4-5-10-19-33-23-14-9-7-12-21(23)24(31)28-26(34)27-22-13-8-6-11-20(22)25(32)30-17-15-29(2)16-18-30/h6-9,11-14H,3-5,10,15-19H2,1-2H3,(H2,27,28,31,34)