N-methyl-N-(N-oxidanylidenecarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide

Systemtic Name: N-methyl-N-(N-oxidanylidenecarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide Openeye Name: N-methyl-N-(N-oxocarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)-2-thienyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide CAS Name: N-[imino(nitroso)methyl]-N-methyl-7-[5-(1-pyrrolidinylmethyl)-2-thiophenyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide IUPAC Name: N-methyl-N-(N-oxocarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide Traditional Name: N-(N-ketoamidino)-N-methyl-7-[5-(pyrrolidinomethyl)-2-thienyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide Formula: C21H20F3N5O2S MolecularWeight: 463.47601

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC2=C(C=CC(=C2N1)C3=CC=C(S3)CN4CCCC4)C(F)(F)F)C(=N)N=O

Isomeric SMILES

CN(C(=O)C1=CC2=C(C=CC(=C2N1)C3=CC=C(S3)CN4CCCC4)C(F)(F)F)C(=N)N=O

InChI

InChI=1S/C21H20F3N5O2S/c1-28(20(25)27-31)19(30)16-10-14-15(21(22,23)24)6-5-13(18(14)26-16)17-7-4-12(32-17)11-29-8-2-3-9-29/h4-7,10,25-26H,2-3,8-9,11H2,1H3