N-[(4-acetamidophenyl)carbamothioyl]-5-bromanyl-2-(3-methylbutoxy)benzamide

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-5-bromanyl-2-(3-methylbutoxy)benzamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-5-bromo-2-isopentyloxy-benzamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-5-bromo-2-(3-methylbutoxy)benzamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-5-bromo-2-(3-methylbutoxy)benzamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-5-bromo-2-isoamoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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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=C(C=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-13(2)10-11-28-19-9-4-15(22)12-18(19)20(27)25-21(29)24-17-7-5-16(6-8-17)23-14(3)26/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H2,24,25,27,29)