5-bromanyl-N-[(3-butoxyphenyl)carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-butoxyphenyl)carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[(3-butoxyphenyl)carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[(3-butoxyanilino)-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[(3-butoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[(3-butoxyphenyl)thiocarbamoyl]-2-isopropoxy-benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

InChI

InChI=1S/C21H25BrN2O3S/c1-4-5-11-26-17-8-6-7-16(13-17)23-21(28)24-20(25)18-12-15(22)9-10-19(18)27-14(2)3/h6-10,12-14H,4-5,11H2,1-3H3,(H2,23,24,25,28)