7-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 7-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 7-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 7-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 7-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 7-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)NC(=O)C1

InChI

InChI=1S/C23H21N3O3S/c27-20(15-8-11-18-14(12-15)4-3-7-21(28)24-18)13-30-23-25-19-6-2-1-5-17(19)22(29)26(23)16-9-10-16/h1-2,5-6,8,11-12,16H,3-4,7,9-10,13H2,(H,24,28)