3-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C17H13ClN2O2S MolecularWeight: 344.81532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C17H13ClN2O2S/c18-11-6-7-14-13(9-11)20-17(22-14)23-15-8-5-10-3-1-2-4-12(10)19-16(15)21/h1-4,6-7,9,15H,5,8H2,(H,19,21)