1-(1-adamantyl)-3-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiourea CAS Name: 1-(1-adamantyl)-3-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[3-(1,3-benzodioxol-5-yl)propanoylamino]thiourea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H27N3O3S/c25-19(4-2-13-1-3-17-18(8-13)27-12-26-17)23-24-20(28)22-21-9-14-5-15(10-21)7-16(6-14)11-21/h1,3,8,14-16H,2,4-7,9-12H2,(H,23,25)(H2,22,24,28)