2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)-phenyl-methyl]propanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)-phenyl-methyl]propanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)-phenyl-methyl]propanamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)-phenylmethyl]propanamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-[(4-methoxyphenyl)-phenyl-methyl]propionamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=C(C=C2)OC)SC3=NC4=CC=CC=C4C(=O)N3C5CC5

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=C(C=C2)OC)SC3=NC4=CC=CC=C4C(=O)N3C5CC5

InChI

InChI=1S/C28H27N3O3S/c1-18(35-28-29-24-11-7-6-10-23(24)27(33)31(28)21-14-15-21)26(32)30-25(19-8-4-3-5-9-19)20-12-16-22(34-2)17-13-20/h3-13,16-18,21,25H,14-15H2,1-2H3,(H,30,32)