N-[(2-aminocarbonylphenyl)carbamothioyl]-3-bromanyl-4-hexoxy-benzamide

Systemtic Name: N-[(2-aminocarbonylphenyl)carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(2-carbamoylphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(2-carbamoylanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(2-carbamoylphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(2-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=CC=C2C(=O)N)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-2-3-4-7-12-28-18-11-10-14(13-16(18)22)20(27)25-21(29)24-17-9-6-5-8-15(17)19(23)26/h5-6,8-11,13H,2-4,7,12H2,1H3,(H2,23,26)(H2,24,25,27,29)