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

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

CCCCNC(=S)NN=CC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O2S/c1-2-3-5-17-15(22)19-18-10-11-8-12(16)14-13(9-11)20-6-4-7-21-14/h8-10H,2-7H2,1H3,(H2,17,19,22)/b18-10-