2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H30N2O4S/c28-24(26-16-18-7-2-1-3-8-18)17-32-23-10-5-4-9-20(23)25(29)27-19-11-12-21-22(15-19)31-14-6-13-30-21/h4-5,9-12,15,18H,1-3,6-8,13-14,16-17H2,(H,26,28)(H,27,29)