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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-isopropyl-5-methyl-phenoxy)acetamide CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-(2-isopropyl-5-methyl-phenoxy)acetamide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O3S/c1-5-6-26(33)31-15-13-30(14-16-31)22-10-8-21(9-11-22)28-27(35)29-25(32)18-34-24-17-20(4)7-12-23(24)19(2)3/h7-12,17,19H,5-6,13-16,18H2,1-4H3,(H2,28,29,32,35)