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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]-4-isopropyl-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=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

InChI

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