1-[1-(1-adamantyl)butyl]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(4-sulfamoylphenyl)thiourea Formula: C21H31N3O2S2 MolecularWeight: 421.61974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H31N3O2S2/c1-2-3-19(21-11-14-8-15(12-21)10-16(9-14)13-21)24-20(27)23-17-4-6-18(7-5-17)28(22,25)26/h4-7,14-16,19H,2-3,8-13H2,1H3,(H2,22,25,26)(H2,23,24,27)