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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]propanamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]propanamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]propanamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]propionamide Formula: C18H14ClN3O3S MolecularWeight: 387.84006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C18H14ClN3O3S/c1-2-15(23)21-18(26)20-14-8-7-10(9-13(14)19)22-16(24)11-5-3-4-6-12(11)17(22)25/h3-9H,2H2,1H3,(H2,20,21,23,26)