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

Systemtic Name: N-[(4-benzamidophenyl)carbamothioyl]-5-bromanyl-2-(3-methylbutoxy)benzamide Openeye Name: N-[(4-benzamidophenyl)carbamothioyl]-5-bromo-2-isopentyloxy-benzamide CAS Name: N-[(4-benzamidoanilino)-sulfanylidenemethyl]-5-bromo-2-(3-methylbutoxy)benzamide IUPAC Name: N-[(4-benzamidophenyl)carbamothioyl]-5-bromo-2-(3-methylbutoxy)benzamide Traditional Name: N-[(4-benzamidophenyl)thiocarbamoyl]-5-bromo-2-isoamoxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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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)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26BrN3O3S/c1-17(2)14-15-33-23-13-8-19(27)16-22(23)25(32)30-26(34)29-21-11-9-20(10-12-21)28-24(31)18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,28,31)(H2,29,30,32,34)