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

Systemtic Name: 1-(1-adamantyl)-3-(3,4-dimethylphenyl)-1-methyl-thiourea Openeye Name: 1-(1-adamantyl)-3-(3,4-dimethylphenyl)-1-methyl-thiourea CAS Name: 1-(1-adamantyl)-3-(3,4-dimethylphenyl)-1-methylthiourea IUPAC Name: 1-(1-adamantyl)-3-(3,4-dimethylphenyl)-1-methylthiourea Traditional Name: 1-(1-adamantyl)-3-(3,4-dimethylphenyl)-1-methyl-thiourea Formula: C20H28N2S MolecularWeight: 328.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H28N2S/c1-13-4-5-18(6-14(13)2)21-19(23)22(3)20-10-15-7-16(11-20)9-17(8-15)12-20/h4-6,15-17H,7-12H2,1-3H3,(H,21,23)