N-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[3-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[3-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(3-phthalimidophenyl)thiocarbamoyl]benzamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H21N3O3S/c1-15(2)16-10-12-17(13-11-16)22(29)27-25(32)26-18-6-5-7-19(14-18)28-23(30)20-8-3-4-9-21(20)24(28)31/h3-15H,1-2H3,(H2,26,27,29,32)