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

Systemtic Name: 1-[(Z)-(7-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-3-pentyl-thiourea Openeye Name: 1-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methyleneamino]-3-pentyl-thiourea CAS Name: 1-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-pentylthiourea IUPAC Name: 1-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O2S/c1-2-3-4-5-16-14(21)18-17-8-10-6-11(15)13-12(7-10)19-9-20-13/h6-8H,2-5,9H2,1H3,(H2,16,18,21)/b17-8-