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

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-[(2,4-dimethoxyphenyl)methyl]carbamodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-[(2,4-dimethoxyphenyl)methyl]carbamodithioate CAS Name: N-[(2,4-dimethoxyphenyl)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-[(2,4-dimethoxyphenyl)methyl]carbamodithioate Traditional Name: N-(2,4-dimethoxybenzyl)carbamodithioic acid (4-keto-2-methyl-1H-quinazolin-6-yl)methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-12-22-17-7-4-13(8-16(17)19(24)23-12)11-28-20(27)21-10-14-5-6-15(25-2)9-18(14)26-3/h4-9H,10-11H2,1-3H3,(H,21,27)(H,22,23,24)