methyl-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]-[2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[(3-methyl-2-sulfanylidene-1-benzimidazolyl)methyl]-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: methyl-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(4-morpholinoanilino)ethyl]-methyl-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]ammonium Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+](C)CC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+](C)CC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H27N5O2S/c1-24(16-27-20-6-4-3-5-19(20)25(2)22(27)30)15-21(28)23-17-7-9-18(10-8-17)26-11-13-29-14-12-26/h3-10H,11-16H2,1-2H3,(H,23,28)/p+1