5-bromanyl-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide hydrochloride

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide hydrochloride Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide hydrochloride CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide hydrochloride IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide hydrochloride Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide hydrochloride Formula: C21H26BrClN4O2S MolecularWeight: 513.87874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C)OC.Cl

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C)OC.Cl

InChI

InChI=1S/C21H25BrN4O2S.ClH/c1-14-12-15(22)13-16(19(14)28-3)20(27)24-21(29)23-17-6-4-5-7-18(17)26-10-8-25(2)9-11-26;/h4-7,12-13H,8-11H2,1-3H3,(H2,23,24,27,29);1H