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

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

Isomeric SMILES

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

InChI

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