[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C18H18N5O2S+ MolecularWeight: 368.43282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C#N)[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H17N5O2S/c1-11(16(24)22-18-12(9-19)7-8-26-18)23(2)10-15-20-14-6-4-3-5-13(14)17(25)21-15/h3-8,11H,10H2,1-2H3,(H,22,24)(H,20,21,25)/p+1/t11-/m0/s1