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

Systemtic Name: 1-[(Z)-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyleneamino]-3-ethyl-thiourea CAS Name: 1-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-3-ethylthiourea IUPAC Name: 1-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-3-ethylthiourea Traditional Name: 1-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyleneamino]-3-ethyl-thiourea Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2S/c1-2-15-13(20)17-16-8-9-6-10(14)12-11(7-9)18-4-3-5-19-12/h6-8H,2-5H2,1H3,(H2,15,17,20)/b16-8-