3-bromanyl-4-phenethyloxy-N-(propan-2-ylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-(propan-2-ylcarbamothioyl)benzamide Openeye Name: 3-bromo-N-(isopropylcarbamothioyl)-4-phenethyloxy-benzamide CAS Name: 3-bromo-4-phenethyloxy-N-[(propan-2-ylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-(propan-2-ylcarbamothioyl)benzamide Traditional Name: 3-bromo-N-(isopropylthiocarbamoyl)-4-phenethyloxy-benzamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OCCC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OCCC2=CC=CC=C2)Br

InChI

InChI=1S/C19H21BrN2O2S/c1-13(2)21-19(25)22-18(23)15-8-9-17(16(20)12-15)24-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,21,22,23,25)