N-[4-[(2S)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide

Systemtic Name: N-[4-[(2S)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide Openeye Name: N-[4-[(2S)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide CAS Name: N-[4-[(2S)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]phenyl]butanamide IUPAC Name: N-[4-[(2S)-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide Traditional Name: N-[4-[(2S)-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]propanoyl]phenyl]butyramide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C

InChI

InChI=1S/C27H26N4O3S/c1-4-7-24(32)29-20-12-10-19(11-13-20)25(33)18(3)35-27-30-22-9-6-5-8-21(22)26(34)31(27)23-16-17(2)14-15-28-23/h5-6,8-16,18H,4,7H2,1-3H3,(H,29,32)/t18-/m0/s1