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

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl N-[(4-chlorophenyl)methyl]carbamodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl N-[(4-chlorophenyl)methyl]carbamodithioate CAS Name: N-[(4-chlorophenyl)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-[(4-chlorophenyl)methyl]carbamodithioate Traditional Name: N-(4-chlorobenzyl)carbamodithioic acid (4-keto-2-methyl-1H-quinazolin-6-yl)methyl ester Formula: C18H16ClN3OS2 MolecularWeight: 389.92214

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3OS2/c1-11-21-16-7-4-13(8-15(16)17(23)22-11)10-25-18(24)20-9-12-2-5-14(19)6-3-12/h2-8H,9-10H2,1H3,(H,20,24)(H,21,22,23)