N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2S/c1-4-22(29)28-15-13-27(14-16-28)21-11-9-20(10-12-21)25-24(31)26-23(30)19-7-5-18(6-8-19)17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H2,25,26,30,31)