N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C24H23ClN4O2S2 MolecularWeight: 499.04802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C24H23ClN4O2S2/c1-16-5-2-3-6-18(16)22(30)27-24(32)26-17-8-9-20(19(25)15-17)28-10-12-29(13-11-28)23(31)21-7-4-14-33-21/h2-9,14-15H,10-13H2,1H3,(H2,26,27,30,32)