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

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(2-allyloxyphenyl)carbamothioyl]-5-bromo-2-isopentyloxy-benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[(2-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(2-allyloxyphenyl)thiocarbamoyl]-5-bromo-2-isoamoxy-benzamide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC=C

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC=C

InChI

InChI=1S/C22H25BrN2O3S/c1-4-12-27-20-8-6-5-7-18(20)24-22(29)25-21(26)17-14-16(23)9-10-19(17)28-13-11-15(2)3/h4-10,14-15H,1,11-13H2,2-3H3,(H2,24,25,26,29)