1-methyl-1-(naphthalen-2-ylmethyl)-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea

Systemtic Name: 1-methyl-1-(naphthalen-2-ylmethyl)-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea Openeye Name: 1-methyl-1-(2-naphthylmethyl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]urea CAS Name: 1-methyl-1-(2-naphthalenylmethyl)-3-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]urea IUPAC Name: 1-methyl-1-(naphthalen-2-ylmethyl)-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea Traditional Name: 1-methyl-1-(2-naphthylmethyl)-3-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]urea Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2C=C1)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2C=C1)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-24(16-17-8-9-18-6-2-3-7-19(18)14-17)22(26)23-15-20-10-11-21(29-20)30(27,28)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13,15-16H2,1H3,(H,23,26)