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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-4-(phenoxymethyl)benzamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-4-(phenoxymethyl)benzamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-4-(phenoxymethyl)benzamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-4-(phenoxymethyl)benzamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]-4-(phenoxymethyl)benzamide Formula: C29H20ClN3O4S MolecularWeight: 542.0048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C29H20ClN3O4S/c30-24-16-20(33-27(35)22-8-4-5-9-23(22)28(33)36)14-15-25(24)31-29(38)32-26(34)19-12-10-18(11-13-19)17-37-21-6-2-1-3-7-21/h1-16H,17H2,(H2,31,32,34,38)