[(2S)-butan-2-yl]-bis[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-bis[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: bis[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-bis[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-bis[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: bis[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C18H20N5O2S2+ MolecularWeight: 402.5137

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](CC(=O)NC1=C(C=CS1)C#N)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC[C@H](C)[NH+](CC(=O)NC1=C(C=CS1)C#N)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H19N5O2S2/c1-3-12(2)23(10-15(24)21-17-13(8-19)4-6-26-17)11-16(25)22-18-14(9-20)5-7-27-18/h4-7,12H,3,10-11H2,1-2H3,(H,21,24)(H,22,25)/p+1/t12-/m0/s1