1-cyclohexyl-3-[(E)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]thiourea

Systemtic Name: 1-cyclohexyl-3-[(E)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-cyclohexyl-3-[(E)-(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-cyclohexyl-3-[(E)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-cyclohexyl-3-[(E)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-cyclohexyl-3-[(E)-(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=NNC(=S)NC3CCCCC3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=N/NC(=S)NC3CCCCC3

InChI

InChI=1S/C16H21N3O3S/c1-20-13-7-11(8-14-15(13)22-10-21-14)9-17-19-16(23)18-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H2,18,19,23)/b17-9+