(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-(oxolan-2-ylmethyl)carbamodithioate

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-(oxolan-2-ylmethyl)carbamodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-(tetrahydrofuran-2-ylmethyl)carbamodithioate CAS Name: N-(2-oxolanylmethyl)carbamodithioic acid (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl ester IUPAC Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-(oxolan-2-ylmethyl)carbamodithioate Traditional Name: N-(tetrahydrofurfuryl)carbamodithioic acid (4-keto-2-methyl-1H-quinazolin-6-yl)methyl ester Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)NCC3CCCO3

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)NCC3CCCO3

InChI

InChI=1S/C16H19N3O2S2/c1-10-18-14-5-4-11(7-13(14)15(20)19-10)9-23-16(22)17-8-12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,22)(H,18,19,20)