1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(phenylthio)ethyl]thiourea Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=S)NCCSC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=S)NCCSC3=CC=CC=C3)OC1

InChI

InChI=1S/C18H20N2O2S2/c23-18(19-9-12-24-15-5-2-1-3-6-15)20-14-7-8-16-17(13-14)22-11-4-10-21-16/h1-3,5-8,13H,4,9-12H2,(H2,19,20,23)