3-bromanyl-4-(3-methylbutoxy)-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-allyloxyphenyl)carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[(4-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(4-allyloxyphenyl)thiocarbamoyl]-3-bromo-4-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)C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C)Br

InChI

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