1-[2-(1-adamantyl)ethanoylamino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea

Systemtic Name: 1-[2-(1-adamantyl)ethanoylamino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea Openeye Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea Traditional Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-piperonyl-thiourea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=S)NCC4=CC5=C(C=C4)OCO5

InChI

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