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

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)N/N=C/C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C19H22N4O4S/c24-23(25)15-5-17-16(26-10-27-17)4-14(15)9-20-22-18(28)21-19-6-11-1-12(7-19)3-13(2-11)8-19/h4-5,9,11-13H,1-3,6-8,10H2,(H2,21,22,28)/b20-9+