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

Systemtic Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(2-thienylmethyl)urea CAS Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(2-thenyl)urea Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H20N2O3S/c1-12(19-17(20)18-11-14-4-2-9-23-14)13-5-6-15-16(10-13)22-8-3-7-21-15/h2,4-6,9-10,12H,3,7-8,11H2,1H3,(H2,18,19,20)