1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methyl-thiourea

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methyl-thiourea Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methyl-thiourea CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methylthiourea IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methylthiourea Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methyl-thiourea Formula: C12H15ClN2O2S MolecularWeight: 286.7777

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CNC(=S)NCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C12H15ClN2O2S/c1-14-12(18)15-7-8-5-9(13)11-10(6-8)16-3-2-4-17-11/h5-6H,2-4,7H2,1H3,(H2,14,15,18)