1-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-phenyl-thiourea

Systemtic Name: 1-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-phenyl-thiourea Openeye Name: 1-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-phenyl-thiourea CAS Name: 1-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-phenylthiourea IUPAC Name: 1-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-phenylthiourea Traditional Name: 1-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-phenyl-thiourea Formula: C19H26N2S MolecularWeight: 314.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC(=S)NC4=CC=CC=C4)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NC(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C19H26N2S/c1-17-8-14-9-18(2,11-17)13-19(10-14,12-17)21-16(22)20-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H2,20,21,22)/t14?,17-,18+,19?