3-chloranyl-4-methyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: 3-chloro-4-methyl-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C26H28ClN4OS+ MolecularWeight: 480.04472

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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)N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H27ClN4OS/c1-19-7-8-21(17-24(19)27)25(32)29-26(33)28-22-9-11-23(12-10-22)31-15-13-30(14-16-31)18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H2,28,29,32,33)/p+1