N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-keto-3-p-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H29N4O3S+ MolecularWeight: 453.57706

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H28N4O3S/c1-3-27-12-4-5-18(27)14-25-22(29)17-8-11-20-21(13-17)26-24(32)28(23(20)30)15-16-6-9-19(31-2)10-7-16/h6-11,13,18H,3-5,12,14-15H2,1-2H3,(H,25,29)(H,26,32)/p+1