1-[2-(4-chlorophenyl)sulfanylethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Formula: C18H19ClN2O2S2 MolecularWeight: 394.93866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O2S2/c19-13-2-5-15(6-3-13)25-11-8-20-18(24)21-14-4-7-16-17(12-14)23-10-1-9-22-16/h2-7,12H,1,8-11H2,(H2,20,21,24)