3-bromanyl-N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C27H26BrClN4O3S MolecularWeight: 601.94234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C27H26BrClN4O3S/c1-17-6-8-18(9-7-17)26(35)33-14-12-32(13-15-33)24-21(29)4-3-5-22(24)30-27(37)31-25(34)19-10-11-23(36-2)20(28)16-19/h3-11,16H,12-15H2,1-2H3,(H2,30,31,34,37)