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

Systemtic Name: 2-chloranyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-N-[[4-(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=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl

InChI

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