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

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-cyclopropyl-thiourea Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-cyclopropyl-thiourea CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-cyclopropylthiourea IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-cyclopropylthiourea Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-cyclopropyl-thiourea Formula: C14H17ClN2O2S MolecularWeight: 312.81498

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=S)NC3CC3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=S)NC3CC3)Cl)OC1

InChI

InChI=1S/C14H17ClN2O2S/c15-11-6-9(8-16-14(20)17-10-2-3-10)7-12-13(11)19-5-1-4-18-12/h6-7,10H,1-5,8H2,(H2,16,17,20)