6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-bromophenyl)carbamothioyl]hexanamide

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-bromophenyl)carbamothioyl]hexanamide Openeye Name: N-[(4-bromophenyl)carbamothioyl]-6-(1,3-dioxoisoindolin-2-yl)hexanamide CAS Name: N-[(4-bromoanilino)-sulfanylidenemethyl]-6-(1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-[(4-bromophenyl)carbamothioyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-[(4-bromophenyl)thiocarbamoyl]-6-phthalimido-hexanamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O3S/c22-14-9-11-15(12-10-14)23-21(29)24-18(26)8-2-1-5-13-25-19(27)16-6-3-4-7-17(16)20(25)28/h3-4,6-7,9-12H,1-2,5,8,13H2,(H2,23,24,26,29)