1-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C20H31N3O3S2 MolecularWeight: 425.60844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=S)NC2CCCCC2C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=S)N[C@H]2CCCC[C@@H]2C)S(=O)(=O)N3CCCC3

InChI

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