N-[1,3-bis(oxidanylidene)-2-(2-oxidanylidene-2-piperazin-1-yl-ethyl)isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide

Systemtic Name: N-[1,3-bis(oxidanylidene)-2-(2-oxidanylidene-2-piperazin-1-yl-ethyl)isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide Openeye Name: 5-chloro-N-[1,3-dioxo-2-(2-oxo-2-piperazin-1-yl-ethyl)isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[1,3-dioxo-2-[2-oxo-2-(1-piperazinyl)ethyl]-4-isoindolyl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[1,3-dioxo-2-(2-oxo-2-piperazin-1-ylethyl)isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[1,3-diketo-2-(2-keto-2-piperazino-ethyl)isoindolin-4-yl]thiophene-2-carboxamide Formula: C19H17ClN4O4S MolecularWeight: 432.88068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCN1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C19H17ClN4O4S/c20-14-5-4-13(29-14)17(26)22-12-3-1-2-11-16(12)19(28)24(18(11)27)10-15(25)23-8-6-21-7-9-23/h1-5,21H,6-10H2,(H,22,26)