N-(3-methylsulfanylphenyl)-7-(phenylmethoxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-7-(phenylmethoxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide Openeye Name: 7-(benzyloxymethyl)-N-(3-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-7-(phenylmethoxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-7-(phenylmethoxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide Traditional Name: 7-(benzoxymethyl)-N-[3-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCOC3=C(C2)C=C(C=C3)COCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCOC3=C(C2)C=C(C=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S/c1-31-23-9-5-8-22(15-23)26-25(28)27-12-13-30-24-11-10-20(14-21(24)16-27)18-29-17-19-6-3-2-4-7-19/h2-11,14-15H,12-13,16-18H2,1H3,(H,26,28)