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

Systemtic Name: 2-bromanyl-N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C23H20BrClN4O2S2 MolecularWeight: 563.9175

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H20BrClN4O2S2/c24-17-5-2-1-4-16(17)21(30)27-23(32)26-15-7-8-19(18(25)14-15)28-9-11-29(12-10-28)22(31)20-6-3-13-33-20/h1-8,13-14H,9-12H2,(H2,26,27,30,32)