3-bromanyl-4-methyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-bromanyl-4-methyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-methyl-benzamide CAS Name: 3-bromo-4-methyl-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-methylbenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-methyl-benzamide Formula: C20H22BrN3OS MolecularWeight: 432.37718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H22BrN3OS/c1-15-7-8-17(13-18(15)21)19(25)22-20(26)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,25,26)