[2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C25H25N4O4S+ MolecularWeight: 477.5554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H24N4O4S/c1-3-33-25(32)23-19(13-20(34-23)16-9-5-4-6-10-16)27-22(30)15-29(2)14-21-26-18-12-8-7-11-17(18)24(31)28-21/h4-13H,3,14-15H2,1-2H3,(H,27,30)(H,26,28,31)/p+1