S-[3-(cyclopropylmethyl)-4-oxidanylidene-quinazolin-2-yl] N,N-diethylcarbamothioate

Systemtic Name: S-[3-(cyclopropylmethyl)-4-oxidanylidene-quinazolin-2-yl] N,N-diethylcarbamothioate Openeye Name: S-[3-(cyclopropylmethyl)-4-oxo-quinazolin-2-yl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid S-[[3-(cyclopropylmethyl)-4-oxo-2-quinazolinyl]] ester IUPAC Name: S-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid S-[3-(cyclopropylmethyl)-4-keto-quinazolin-2-yl] ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SC1=NC2=CC=CC=C2C(=O)N1CC3CC3

Isomeric SMILES

CCN(CC)C(=O)SC1=NC2=CC=CC=C2C(=O)N1CC3CC3

InChI

InChI=1S/C17H21N3O2S/c1-3-19(4-2)17(22)23-16-18-14-8-6-5-7-13(14)15(21)20(16)11-12-9-10-12/h5-8,12H,3-4,9-11H2,1-2H3