1-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea

Systemtic Name: 1-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea Openeye Name: 1-[2-(diethylamino)-2-(3-thienyl)ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea CAS Name: 1-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea IUPAC Name: 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea Traditional Name: 1-[2-(diethylamino)-2-(3-thienyl)ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)NC1=CC2=C(C=C1)OCCCO2)C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)NC1=CC2=C(C=C1)OCCCO2)C3=CSC=C3

InChI

InChI=1S/C20H27N3O3S/c1-3-23(4-2)17(15-8-11-27-14-15)13-21-20(24)22-16-6-7-18-19(12-16)26-10-5-9-25-18/h6-8,11-12,14,17H,3-5,9-10,13H2,1-2H3,(H2,21,22,24)