N-[2-[[3-(aminomethyl)phenyl]methyl]-1,3-bis(oxidanylidene)isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide

Systemtic Name: N-[2-[[3-(aminomethyl)phenyl]methyl]-1,3-bis(oxidanylidene)isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide Openeye Name: N-[2-[[3-(aminomethyl)phenyl]methyl]-1,3-dioxo-isoindolin-4-yl]-5-chloro-thiophene-2-carboxamide CAS Name: N-[2-[[3-(aminomethyl)phenyl]methyl]-1,3-dioxo-4-isoindolyl]-5-chloro-2-thiophenecarboxamide IUPAC Name: N-[2-[[3-(aminomethyl)phenyl]methyl]-1,3-dioxoisoindol-4-yl]-5-chlorothiophene-2-carboxamide Traditional Name: N-[2-[3-(aminomethyl)benzyl]-1,3-diketo-isoindolin-4-yl]-5-chloro-thiophene-2-carboxamide Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN)CN2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)CN)CN2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H16ClN3O3S/c22-17-8-7-16(29-17)19(26)24-15-6-2-5-14-18(15)21(28)25(20(14)27)11-13-4-1-3-12(9-13)10-23/h1-9H,10-11,23H2,(H,24,26)