1-(1-adamantyl)-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-(1-adamantyl)-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-(1-adamantyl)-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(3,4-dimethylphenyl)thiourea Formula: C19H26N2S MolecularWeight: 314.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3)C

InChI

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