N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[[4-[4-(benzofuran-2-carbonyl)piperazino]phenyl]thiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C29H27BrN4O4S MolecularWeight: 607.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4)OC

InChI

InChI=1S/C29H27BrN4O4S/c1-18-15-20(30)17-23(26(18)37-2)27(35)32-29(39)31-21-7-9-22(10-8-21)33-11-13-34(14-12-33)28(36)25-16-19-5-3-4-6-24(19)38-25/h3-10,15-17H,11-14H2,1-2H3,(H2,31,32,35,39)