1-[2-(1-adamantyl)ethanoylamino]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[2-(1-adamantyl)ethanoylamino]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(3,5-dimethylphenyl)thiourea Formula: C21H29N3OS MolecularWeight: 371.53946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NNC(=O)CC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NNC(=O)CC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H29N3OS/c1-13-3-14(2)5-18(4-13)22-20(26)24-23-19(25)12-21-9-15-6-16(10-21)8-17(7-15)11-21/h3-5,15-17H,6-12H2,1-2H3,(H,23,25)(H2,22,24,26)