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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]thiophene-2-carboxamide Formula: C20H12ClN3O3S2 MolecularWeight: 441.91058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=S)NC(=O)C4=CC=CS4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=S)NC(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C20H12ClN3O3S2/c21-14-10-11(24-18(26)12-4-1-2-5-13(12)19(24)27)7-8-15(14)22-20(28)23-17(25)16-6-3-9-29-16/h1-10H,(H2,22,23,25,28)