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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-3-butoxy-benzamide Openeye Name: 3-butoxy-N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]benzamide Formula: C26H22ClN3O4S MolecularWeight: 507.98858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C26H22ClN3O4S/c1-2-3-13-34-18-8-6-7-16(14-18)23(31)29-26(35)28-22-12-11-17(15-21(22)27)30-24(32)19-9-4-5-10-20(19)25(30)33/h4-12,14-15H,2-3,13H2,1H3,(H2,28,29,31,35)