1-[(E)-[(5R,7S)-1-tetradecyl-2-adamantylidene]amino]thiourea hydrochloride

Systemtic Name: 1-[(E)-[(5R,7S)-1-tetradecyl-2-adamantylidene]amino]thiourea hydrochloride Openeye Name: [(E)-[(5R,7S)-1-tetradecyl-2-adamantylidene]amino]thiourea hydrochloride CAS Name: [(E)-[(5R,7S)-1-tetradecyl-2-adamantylidene]amino]thiourea hydrochloride IUPAC Name: [(E)-[(5R,7S)-1-tetradecyl-2-adamantylidene]amino]thiourea hydrochloride Traditional Name: [(E)-[(5R,7S)-1-myristyl-2-adamantylidene]amino]thiourea hydrochloride Formula: C25H46ClN3S MolecularWeight: 456.17084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC12CC3CC(C1)CC(C3)C2=NNC(=S)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCC1\2C[C@@H]3C[C@H](C1)CC(C3)/C2=N\NC(=S)N.Cl

InChI

InChI=1S/C25H45N3S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-18-20-15-21(19-25)17-22(16-20)23(25)27-28-24(26)29;/h20-22H,2-19H2,1H3,(H3,26,28,29);1H/b27-23+;/t20-,21+,22?,25?;