5-bromanyl-2-phenethyloxy-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-allyloxyphenyl)carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: 5-bromo-2-phenethyloxy-N-[(3-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-allyloxyphenyl)thiocarbamoyl]-5-bromo-2-phenethyloxy-benzamide Formula: C25H23BrN2O3S MolecularWeight: 511.43072

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

C=CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H23BrN2O3S/c1-2-14-30-21-10-6-9-20(17-21)27-25(32)28-24(29)22-16-19(26)11-12-23(22)31-15-13-18-7-4-3-5-8-18/h2-12,16-17H,1,13-15H2,(H2,27,28,29,32)