N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylsulfanylmethyl)benzamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylsulfanylmethyl)benzamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylsulfanylmethyl)benzamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-[(methylthio)methyl]benzamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylsulfanylmethyl)benzamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-[(methylthio)methyl]benzamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

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