2-chloranyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-3-(methylthio)propyl]benzamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-29-12-9-17(24-20(25)15-5-2-3-6-16(15)22)21(26)23-14-7-8-18-19(13-14)28-11-4-10-27-18/h2-3,5-8,13,17H,4,9-12H2,1H3,(H,23,26)(H,24,25)