3-bromanyl-4-phenethyloxy-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(2-isopropylphenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-4-phenethyloxy-N-[(2-propan-2-ylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-(o-cumenylthiocarbamoyl)-4-phenethyloxy-benzamide Formula: C25H25BrN2O2S MolecularWeight: 497.4472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H25BrN2O2S/c1-17(2)20-10-6-7-11-22(20)27-25(31)28-24(29)19-12-13-23(21(26)16-19)30-15-14-18-8-4-3-5-9-18/h3-13,16-17H,14-15H2,1-2H3,(H2,27,28,29,31)