7-(4-ethylpiperazin-4-ium-1-yl)carbonyl-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(4-ethylpiperazin-4-ium-1-yl)carbonyl-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(2-methoxyethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(2-methoxyethyl)-2-thioxo-1H-quinazolin-4-one Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCOC

InChI

InChI=1S/C18H24N4O3S/c1-3-20-6-8-21(9-7-20)16(23)13-4-5-14-15(12-13)19-18(26)22(17(14)24)10-11-25-2/h4-5,12H,3,6-11H2,1-2H3,(H,19,26)/p+1