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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-bromophenyl)carbamothioyl]propanamide Openeye Name: N-[(4-bromophenyl)carbamothioyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(4-bromoanilino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(4-bromophenyl)carbamothioyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[(4-bromophenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C18H14BrN3O3S MolecularWeight: 432.29106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O3S/c19-11-5-7-12(8-6-11)20-18(26)21-15(23)9-10-22-16(24)13-3-1-2-4-14(13)17(22)25/h1-8H,9-10H2,(H2,20,21,23,26)