N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-isobutoxy-benzamide CAS Name: 3-(2-methylpropoxy)-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3-isobutoxy-benzamide Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O3S/c1-4-6-24(31)30-15-13-29(14-16-30)22-11-9-21(10-12-22)27-26(34)28-25(32)20-7-5-8-23(17-20)33-18-19(2)3/h5,7-12,17,19H,4,6,13-16,18H2,1-3H3,(H2,27,28,32,34)