3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-3-(3,5-dimethylphenyl)-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCOC)N=C2SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCOC)N=C2SCC4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O3S/c1-18-13-19(2)15-22(14-18)30-26(32)23-10-9-21(25(31)28-11-12-33-3)16-24(23)29-27(30)34-17-20-7-5-4-6-8-20/h4-10,13-16H,11-12,17H2,1-3H3,(H,28,31)