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

Systemtic Name: 1-[(Z)-(7-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-3-propyl-thiourea Openeye Name: 1-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methyleneamino]-3-propyl-thiourea CAS Name: 1-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-propylthiourea IUPAC Name: 1-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-propylthiourea Traditional Name: 1-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methyleneamino]-3-propyl-thiourea Formula: C12H14ClN3O2S MolecularWeight: 299.77646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O2S/c1-2-3-14-12(19)16-15-6-8-4-9(13)11-10(5-8)17-7-18-11/h4-6H,2-3,7H2,1H3,(H2,14,16,19)/b15-6-