1-(2-adamantylideneamino)-3-(4-methylphenyl)thiourea

Systemtic Name: 1-(2-adamantylideneamino)-3-(4-methylphenyl)thiourea Openeye Name: 1-(2-adamantylideneamino)-3-(p-tolyl)thiourea CAS Name: 1-(2-adamantylideneamino)-3-(4-methylphenyl)thiourea IUPAC Name: 1-(2-adamantylideneamino)-3-(4-methylphenyl)thiourea Traditional Name: 1-(2-adamantylideneamino)-3-(p-tolyl)thiourea Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NN=C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NN=C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C18H23N3S/c1-11-2-4-16(5-3-11)19-18(22)21-20-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15H,6-10H2,1H3,(H2,19,21,22)