1-[(1R,2S)-2-methylcyclohexyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H23N5O2S2 MolecularWeight: 405.53752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H23N5O2S2/c1-13-5-2-3-6-16(13)22-18(26)21-14-7-9-15(10-8-14)27(24,25)23-17-19-11-4-12-20-17/h4,7-13,16H,2-3,5-6H2,1H3,(H,19,20,23)(H2,21,22,26)/t13-,16+/m0/s1