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

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O4S/c1-31-15-17-32(18-16-31)27(34)24-9-5-6-10-25(24)29-28(37)30-26(33)21-11-13-23(14-12-21)36-20-19-35-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3,(H2,29,30,33,37)