1-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-methoxyethyl)thiourea

Systemtic Name: 1-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-methoxyethyl)thiourea Openeye Name: 1-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-methoxyethyl)thiourea CAS Name: 1-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyethyl)thiourea Traditional Name: 1-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(2-methoxyethyl)thiourea Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=S)NCCOC)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=S)NCCOC)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H25N3O4S2/c1-3-23-14-7-6-13(18-16(24)17-8-11-22-2)12-15(14)25(20,21)19-9-4-5-10-19/h6-7,12H,3-5,8-11H2,1-2H3,(H2,17,18,24)