(2S)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2S)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-thienylmethyl)propanamide CAS Name: (2S)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2S)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2S)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-thenyl)propionamide Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NCC4=CC=CS4)C

InChI

InChI=1S/C24H23N3O2S2/c1-15-11-16(2)13-18(12-15)27-23(29)20-8-4-5-9-21(20)26-24(27)31-17(3)22(28)25-14-19-7-6-10-30-19/h4-13,17H,14H2,1-3H3,(H,25,28)/t17-/m0/s1