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

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(2-allyloxyphenyl)carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: 5-bromo-2-phenethyloxy-N-[(2-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(2-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=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

C=CCOC1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

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