3-bromanyl-4-hexoxy-N-[(4-phenylazanylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(4-phenylazanylphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-anilinophenyl)carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: N-[(4-anilinoanilino)-sulfanylidenemethyl]-3-bromo-4-hexoxybenzamide IUPAC Name: N-[(4-anilinophenyl)carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[(4-anilinophenyl)thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C26H28BrN3O2S MolecularWeight: 526.48842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C26H28BrN3O2S/c1-2-3-4-8-17-32-24-16-11-19(18-23(24)27)25(31)30-26(33)29-22-14-12-21(13-15-22)28-20-9-6-5-7-10-20/h5-7,9-16,18,28H,2-4,8,17H2,1H3,(H2,29,30,31,33)