N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4O2S/c1-2-18(27)25-11-13-26(14-12-25)19-16(22)9-6-10-17(19)23-21(29)24-20(28)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3,(H2,23,24,28,29)