1-(4-morpholin-4-ylsulfonylphenyl)-3-[[(5S)-3,3,5-trimethylcyclohexen-1-yl]amino]thiourea

Systemtic Name: 1-(4-morpholin-4-ylsulfonylphenyl)-3-[[(5S)-3,3,5-trimethylcyclohexen-1-yl]amino]thiourea Openeye Name: 1-(4-morpholinosulfonylphenyl)-3-[[(5S)-3,3,5-trimethylcyclohexen-1-yl]amino]thiourea CAS Name: 1-[4-(4-morpholinylsulfonyl)phenyl]-3-[[(5S)-3,3,5-trimethyl-1-cyclohexenyl]amino]thiourea IUPAC Name: 1-(4-morpholin-4-ylsulfonylphenyl)-3-[[(5S)-3,3,5-trimethylcyclohexen-1-yl]amino]thiourea Traditional Name: 1-(4-morpholinosulfonylphenyl)-3-[[(5S)-3,3,5-trimethylcyclohexen-1-yl]amino]thiourea Formula: C20H30N4O3S2 MolecularWeight: 438.6072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(C1)(C)C)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@@H]1CC(=CC(C1)(C)C)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H30N4O3S2/c1-15-12-17(14-20(2,3)13-15)22-23-19(28)21-16-4-6-18(7-5-16)29(25,26)24-8-10-27-11-9-24/h4-7,14-15,22H,8-13H2,1-3H3,(H2,21,23,28)/t15-/m1/s1