1-[(1R)-1-(1-adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea

Systemtic Name: 1-[(1R)-1-(1-adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Openeye Name: 1-[(1R)-1-(1-adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea CAS Name: 1-[(1R)-1-(1-adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea IUPAC Name: 1-[(1R)-1-(1-adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Traditional Name: 1-[(1R)-1-(1-adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Formula: C21H31N3O2S2 MolecularWeight: 421.61974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H31N3O2S2/c1-14(21-11-16-8-17(12-21)10-18(9-16)13-21)24-20(27)23-7-6-15-2-4-19(5-3-15)28(22,25)26/h2-5,14,16-18H,6-13H2,1H3,(H2,22,25,26)(H2,23,24,27)/t14-,16?,17?,18?,21?/m1/s1