N-[bis(azanyl)methylidene]-7-(2-imidazol-1-ylethoxy)-1,4-dimethyl-indole-2-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-7-(2-imidazol-1-ylethoxy)-1,4-dimethyl-indole-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-7-(2-imidazol-1-ylethoxy)-1,4-dimethyl-indole-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-7-[2-(1-imidazolyl)ethoxy]-1,4-dimethyl-2-indolecarboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-7-(2-imidazol-1-ylethoxy)-1,4-dimethylindole-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-7-(2-imidazol-1-ylethoxy)-1,4-dimethyl-indole-2-carboxamide; mesylic acid Formula: C19H28N6O8S2 MolecularWeight: 532.59102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=C(C=C1)OCCN3C=CN=C3)C)C(=O)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C2C=C(N(C2=C(C=C1)OCCN3C=CN=C3)C)C(=O)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C17H20N6O2.2CH4O3S/c1-11-3-4-14(25-8-7-23-6-5-20-10-23)15-12(11)9-13(22(15)2)16(24)21-17(18)19;2*1-5(2,3)4/h3-6,9-10H,7-8H2,1-2H3,(H4,18,19,21,24);2*1H3,(H,2,3,4)