1-[(1R)-1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea

Systemtic Name: 1-[(1R)-1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea Openeye Name: 1-[(1R)-1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-[(1R)-1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-[(1R)-1-(1-adamantyl)ethyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea Traditional Name: 1-[(1R)-1-(1-adamantyl)ethyl]-3-piperonyl-thiourea Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H28N2O2S/c1-13(21-8-15-4-16(9-21)6-17(5-15)10-21)23-20(26)22-11-14-2-3-18-19(7-14)25-12-24-18/h2-3,7,13,15-17H,4-6,8-12H2,1H3,(H2,22,23,26)/t13-,15?,16?,17?,21?/m1/s1