1-(1-adamantylmethyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea

Systemtic Name: 1-(1-adamantylmethyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea Openeye Name: 1-(1-adamantylmethyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-(1-adamantylmethyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea Traditional Name: 1-(1-adamantylmethyl)-3-piperonyl-thiourea Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H26N2O2S/c25-19(21-10-13-1-2-17-18(6-13)24-12-23-17)22-11-20-7-14-3-15(8-20)5-16(4-14)9-20/h1-2,6,14-16H,3-5,7-12H2,(H2,21,22,25)