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

Systemtic Name: N-[[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]benzamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2S/c1-14(26)24-9-11-25(12-10-24)18-8-7-16(13-17(18)21)22-20(28)23-19(27)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H2,22,23,27,28)