(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-[(3,4,5-trimethoxyphenyl)methyl]carbamodithioate

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-[(3,4,5-trimethoxyphenyl)methyl]carbamodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-[(3,4,5-trimethoxyphenyl)methyl]carbamodithioate CAS Name: N-[(3,4,5-trimethoxyphenyl)methyl]carbamodithioic acid (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl ester IUPAC Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-[(3,4,5-trimethoxyphenyl)methyl]carbamodithioate Traditional Name: N-(3,4,5-trimethoxybenzyl)carbamodithioic acid (4-keto-2-methyl-1H-quinazolin-6-yl)methyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c1-12-23-16-6-5-13(7-15(16)20(25)24-12)11-30-21(29)22-10-14-8-17(26-2)19(28-4)18(9-14)27-3/h5-9H,10-11H2,1-4H3,(H,22,29)(H,23,24,25)