6-[4-(dimethylaminomethyl)phenyl]carbonyl-3,5-dimethyl-1-(phenylmethyl)-2-sulfanylidene-quinazolin-4-one hydrochloride

Systemtic Name: 6-[4-(dimethylaminomethyl)phenyl]carbonyl-3,5-dimethyl-1-(phenylmethyl)-2-sulfanylidene-quinazolin-4-one hydrochloride Openeye Name: 1-benzyl-6-[4-(dimethylaminomethyl)benzoyl]-3,5-dimethyl-2-thioxo-quinazolin-4-one hydrochloride CAS Name: 6-[[4-(dimethylaminomethyl)phenyl]-oxomethyl]-3,5-dimethyl-1-(phenylmethyl)-2-sulfanylidene-4-quinazolinone hydrochloride IUPAC Name: 1-benzyl-6-[4-(dimethylaminomethyl)benzoyl]-3,5-dimethyl-2-sulfanylidenequinazolin-4-one hydrochloride Traditional Name: 1-benzyl-6-[4-(dimethylaminomethyl)benzoyl]-3,5-dimethyl-2-thioxo-quinazolin-4-one hydrochloride Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)N(C(=S)N2CC3=CC=CC=C3)C)C(=O)C4=CC=C(C=C4)CN(C)C.Cl

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)N(C(=S)N2CC3=CC=CC=C3)C)C(=O)C4=CC=C(C=C4)CN(C)C.Cl

InChI

InChI=1S/C27H27N3O2S.ClH/c1-18-22(25(31)21-12-10-20(11-13-21)16-28(2)3)14-15-23-24(18)26(32)29(4)27(33)30(23)17-19-8-6-5-7-9-19;/h5-15H,16-17H2,1-4H3;1H