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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxy-benzamide CAS Name: 3-methoxy-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3-methoxy-benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-3-5-21(28)27-14-12-26(13-15-27)19-10-8-18(9-11-19)24-23(31)25-22(29)17-6-4-7-20(16-17)30-2/h4,6-11,16H,3,5,12-15H2,1-2H3,(H2,24,25,29,31)