1-tert-butyl-3-[(Z)-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]thiourea

Systemtic Name: 1-tert-butyl-3-[(Z)-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]thiourea Openeye Name: 1-tert-butyl-3-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyleneamino]thiourea CAS Name: 1-tert-butyl-3-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]thiourea IUPAC Name: 1-tert-butyl-3-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]thiourea Traditional Name: 1-tert-butyl-3-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyleneamino]thiourea Formula: C15H20ClN3O2S MolecularWeight: 341.8562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NN=CC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)(C)NC(=S)N/N=C\C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C15H20ClN3O2S/c1-15(2,3)18-14(22)19-17-9-10-7-11(16)13-12(8-10)20-5-4-6-21-13/h7-9H,4-6H2,1-3H3,(H2,18,19,22)/b17-9-