2-(5-methyl-2-propan-2-yl-phenoxy)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C(C)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C(C)C

InChI

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