7-[[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[(2S)-2-(diethylammonio)-2-phenyl-ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[(2S)-2-(diethylammonio)-2-phenylethyl]amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[(2S)-2-(diethylazaniumyl)-2-phenylethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[(2S)-2-(diethylammonio)-2-phenyl-ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC=C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC=C)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O2S/c1-4-14-28-23(30)19-13-12-18(15-20(19)26-24(28)31)22(29)25-16-21(27(5-2)6-3)17-10-8-7-9-11-17/h4,7-13,15,21,30H,1,5-6,14,16H2,2-3H3,(H,25,29)/t21-/m1/s1