1-butyl-3-[(Z)-(7-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-(7-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C13H16ClN3O2S/c1-2-3-4-15-13(20)17-16-7-9-5-10(14)12-11(6-9)18-8-19-12/h5-7H,2-4,8H2,1H3,(H2,15,17,20)/b16-7-