2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(3-phenylpropyl)acetamide Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CSCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CSCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C20H22ClNO3S/c21-17-11-16(12-18-20(17)25-10-9-24-18)13-26-14-19(23)22-8-4-7-15-5-2-1-3-6-15/h1-3,5-6,11-12H,4,7-10,13-14H2,(H,22,23)