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

Systemtic Name: 5-bromanyl-N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[4-[4-(4-ethylbenzoyl)piperazino]phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C29H31BrN4O3S MolecularWeight: 595.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br

InChI

InChI=1S/C29H31BrN4O3S/c1-4-20-5-7-21(8-6-20)28(36)34-15-13-33(14-16-34)24-11-9-23(10-12-24)31-29(38)32-27(35)25-18-22(30)17-19(2)26(25)37-3/h5-12,17-18H,4,13-16H2,1-3H3,(H2,31,32,35,38)