N-[5-(diethylaminomethyl)thiophen-2-yl]-1-methyl-N-(N-oxidanylidenecarbamimidoyl)indole-2-carboxamide

Systemtic Name: N-[5-(diethylaminomethyl)thiophen-2-yl]-1-methyl-N-(N-oxidanylidenecarbamimidoyl)indole-2-carboxamide Openeye Name: N-[5-(diethylaminomethyl)-2-thienyl]-1-methyl-N-(N-oxocarbamimidoyl)indole-2-carboxamide CAS Name: N-[5-(diethylaminomethyl)-2-thiophenyl]-N-[imino(nitroso)methyl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[5-(diethylaminomethyl)thiophen-2-yl]-1-methyl-N-(N-oxocarbamimidoyl)indole-2-carboxamide Traditional Name: N-[5-(diethylaminomethyl)-2-thienyl]-N-(N-ketoamidino)-1-methyl-indole-2-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(S1)N(C(=O)C2=CC3=CC=CC=C3N2C)C(=N)N=O

Isomeric SMILES

CCN(CC)CC1=CC=C(S1)N(C(=O)C2=CC3=CC=CC=C3N2C)C(=N)N=O

InChI

InChI=1S/C20H23N5O2S/c1-4-24(5-2)13-15-10-11-18(28-15)25(20(21)22-27)19(26)17-12-14-8-6-7-9-16(14)23(17)3/h6-12,21H,4-5,13H2,1-3H3