2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-methylphenyl)propanamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(m-tolyl)propanamide CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(3-methylphenyl)propanamide IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(m-tolyl)propionamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H18ClNO3S/c1-11-4-3-5-14(6-11)20-18(21)12(2)24-9-13-7-15(19)17-16(8-13)22-10-23-17/h3-8,12H,9-10H2,1-2H3,(H,20,21)