N-[(3-chlorophenyl)methyl]-N-methyl-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-N-methyl-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-keto-N-methyl-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Cl)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC(=CC=C1)Cl)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O2S/c1-28(16-18-8-5-9-20(26)14-18)23(30)19-10-11-21-22(15-19)27-25(32)29(24(21)31)13-12-17-6-3-2-4-7-17/h2-11,14-15H,12-13,16H2,1H3,(H,27,32)