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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]-3-propoxy-benzamide Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C25H20ClN3O4S/c1-2-12-33-17-7-5-6-15(13-17)22(30)28-25(34)27-21-11-10-16(14-20(21)26)29-23(31)18-8-3-4-9-19(18)24(29)32/h3-11,13-14H,2,12H2,1H3,(H2,27,28,30,34)