N-[2-[[4-(aminomethyl)cyclohexyl]methyl]-1-oxidanylidene-3H-isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide

Systemtic Name: N-[2-[[4-(aminomethyl)cyclohexyl]methyl]-1-oxidanylidene-3H-isoindol-4-yl]-5-chloranyl-thiophene-2-carboxamide Openeye Name: N-[2-[[4-(aminomethyl)cyclohexyl]methyl]-1-oxo-isoindolin-4-yl]-5-chloro-thiophene-2-carboxamide CAS Name: N-[2-[[4-(aminomethyl)cyclohexyl]methyl]-1-oxo-3H-isoindol-4-yl]-5-chloro-2-thiophenecarboxamide IUPAC Name: N-[2-[[4-(aminomethyl)cyclohexyl]methyl]-1-oxo-3H-isoindol-4-yl]-5-chlorothiophene-2-carboxamide Traditional Name: N-[2-[[4-(aminomethyl)cyclohexyl]methyl]-1-keto-isoindolin-4-yl]-5-chloro-thiophene-2-carboxamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CN2CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CC(CCC1CN)CN2CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H24ClN3O2S/c22-19-9-8-18(28-19)20(26)24-17-3-1-2-15-16(17)12-25(21(15)27)11-14-6-4-13(10-23)5-7-14/h1-3,8-9,13-14H,4-7,10-12,23H2,(H,24,26)