1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCN1CCC[C@H]1CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H28N4O3S2/c1-2-21-9-3-4-16(21)14-19-18(26)20-15-5-7-17(8-6-15)27(23,24)22-10-12-25-13-11-22/h5-8,16H,2-4,9-14H2,1H3,(H2,19,20,26)/t16-/m0/s1