N-(6-chloranyl-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC3=C(C=C2Cl)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC3=C(C=C2Cl)OCO3)C

InChI

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