5-bromanyl-2-phenethyloxy-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-allyloxyphenyl)carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: 5-bromo-2-phenethyloxy-N-[(4-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(4-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=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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