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

Systemtic Name: 7-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 7-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 7-[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 7-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 7-[2-[(1-cyclopropylimidazol-2-yl)thio]acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)CSC3=NC=CN3C4CC4)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)CSC3=NC=CN3C4CC4)NC(=O)C1

InChI

InChI=1S/C18H19N3O2S/c22-16(11-24-18-19-8-9-21(18)14-5-6-14)13-4-7-15-12(10-13)2-1-3-17(23)20-15/h4,7-10,14H,1-3,5-6,11H2,(H,20,23)