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

Systemtic Name: 5-bromanyl-N-[(3-ethoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[(3-ethoxyphenyl)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[(3-ethoxyanilino)-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[(3-ethoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-2-isoamoxy-N-(m-phenetylthiocarbamoyl)benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3S/c1-4-26-17-7-5-6-16(13-17)23-21(28)24-20(25)18-12-15(22)8-9-19(18)27-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H2,23,24,25,28)