3-bromanyl-N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-propan-2-yloxybenzamide Traditional Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-3-bromo-4-isopropoxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-17(2)33-23-13-12-19(15-22(23)27)24(31)29-26(34)28-21-11-7-10-20(14-21)25(32)30(3)16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3,(H2,28,29,31,34)