1-cyclohexyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea

Systemtic Name: 1-cyclohexyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-cyclohexyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-cyclohexyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-cyclohexyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-cyclohexyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CCC(CC1)NC(=S)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C15H18N4O4S/c20-19(21)12-7-14-13(22-9-23-14)6-10(12)8-16-18-15(24)17-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H2,17,18,24)/b16-8+