diethyl-[2-[4-oxidanylidene-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[4-oxidanylidene-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[4-oxo-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[4-oxo-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[4-oxo-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[4-keto-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C25H32N5O2S+ MolecularWeight: 466.61888

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)NC1=S

InChI

InChI=1S/C25H31N5O2S/c1-3-27(4-2)12-17-30-24(32)21-11-10-19(18-22(21)26-25(30)33)23(31)29-15-13-28(14-16-29)20-8-6-5-7-9-20/h5-11,18H,3-4,12-17H2,1-2H3,(H,26,33)/p+1