4-bromanyl-N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide hydrochloride

Systemtic Name: 4-bromanyl-N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide hydrochloride Openeye Name: 4-bromo-N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide hydrochloride CAS Name: 4-bromo-N-[[4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide hydrochloride IUPAC Name: 4-bromo-N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide hydrochloride Traditional Name: 4-bromo-N-[[4-(4-ethylpiperazino)phenyl]thiocarbamoyl]benzamide hydrochloride Formula: C20H24BrClN4OS MolecularWeight: 483.85276

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br.Cl

InChI

InChI=1S/C20H23BrN4OS.ClH/c1-2-24-11-13-25(14-12-24)18-9-7-17(8-10-18)22-20(27)23-19(26)15-3-5-16(21)6-4-15;/h3-10H,2,11-14H2,1H3,(H2,22,23,26,27);1H