1-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-(2-methoxy-5-piperidinosulfonyl-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C20H31N3O3S2 MolecularWeight: 425.60844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C20H31N3O3S2/c1-15-8-4-5-9-17(15)21-20(27)22-18-14-16(10-11-19(18)26-2)28(24,25)23-12-6-3-7-13-23/h10-11,14-15,17H,3-9,12-13H2,1-2H3,(H2,21,22,27)/t15-,17-/m0/s1