N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C19H20ClNO4S/c1-23-13-3-5-14(6-4-13)26-10-7-19(22)21-16-12-18-17(11-15(16)20)24-8-2-9-25-18/h3-6,11-12H,2,7-10H2,1H3,(H,21,22)