3-bromanyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(2-isopropoxyphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[(2-propan-2-yloxyanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(2-propan-2-yloxyphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(2-isopropoxyphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OC(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OC(C)C)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-4-11-25-17-10-9-14(12-15(17)21)19(24)23-20(27)22-16-7-5-6-8-18(16)26-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,24,27)