3-bromanyl-4-(3-methylbutoxy)-N-[(3-methylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(3-methylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-(m-tolylcarbamothioyl)benzamide CAS Name: 3-bromo-N-[(3-methylanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[(3-methylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-(m-tolylthiocarbamoyl)benzamide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

InChI

InChI=1S/C20H23BrN2O2S/c1-13(2)9-10-25-18-8-7-15(12-17(18)21)19(24)23-20(26)22-16-6-4-5-14(3)11-16/h4-8,11-13H,9-10H2,1-3H3,(H2,22,23,24,26)