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

Systemtic Name: N-[(4-aminocarbonylphenyl)carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(4-carbamoylphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(4-carbamoylanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(4-carbamoylphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(4-carbamoylphenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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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)C(=O)N)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-2-3-4-5-12-28-18-11-8-15(13-17(18)22)20(27)25-21(29)24-16-9-6-14(7-10-16)19(23)26/h6-11,13H,2-5,12H2,1H3,(H2,23,26)(H2,24,25,27,29)