1-(1-adamantylmethyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(1-adamantylmethyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1-adamantylmethyl)-3-[4-(isopropylsulfamoyl)phenyl]thiourea CAS Name: 1-(1-adamantylmethyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-adamantylmethyl)-3-[4-(isopropylsulfamoyl)phenyl]thiourea Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O2S2/c1-14(2)24-28(25,26)19-5-3-18(4-6-19)23-20(27)22-13-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17,24H,7-13H2,1-2H3,(H2,22,23,27)