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

Systemtic Name: 3-chloranyl-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)Cl

InChI

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