1-[3-(3-methylphenoxy)propyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea

Systemtic Name: 1-[3-(3-methylphenoxy)propyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea Openeye Name: 1-[3-(3-methylphenoxy)propyl]-3-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]urea CAS Name: 1-[3-(3-methylphenoxy)propyl]-3-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]urea IUPAC Name: 1-[3-(3-methylphenoxy)propyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea Traditional Name: 1-[3-(3-methylphenoxy)propyl]-3-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]urea Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O4S2/c1-16-6-4-7-17(14-16)27-13-5-10-21-20(24)22-15-18-8-9-19(28-18)29(25,26)23-11-2-3-12-23/h4,6-9,14H,2-3,5,10-13,15H2,1H3,(H2,21,22,24)