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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 2-methoxy-3-methyl-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3S/c1-4-6-21(29)28-15-13-27(14-16-28)19-11-9-18(10-12-19)25-24(32)26-23(30)20-8-5-7-17(2)22(20)31-3/h5,7-12H,4,6,13-16H2,1-3H3,(H2,25,26,30,32)