(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-(1,3-benzodioxol-5-ylmethyl)carbamodithioate

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-(1,3-benzodioxol-5-ylmethyl)carbamodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-(1,3-benzodioxol-5-ylmethyl)carbamodithioate CAS Name: N-(1,3-benzodioxol-5-ylmethyl)carbamodithioic acid (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl ester IUPAC Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-(1,3-benzodioxol-5-ylmethyl)carbamodithioate Traditional Name: N-piperonylcarbamodithioic acid (4-keto-2-methyl-1H-quinazolin-6-yl)methyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N3O3S2/c1-11-21-15-4-2-13(6-14(15)18(23)22-11)9-27-19(26)20-8-12-3-5-16-17(7-12)25-10-24-16/h2-7H,8-10H2,1H3,(H,20,26)(H,21,22,23)