1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]urea IUPAC Name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[3-(pyrrolidinomethyl)benzyl]urea Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)NCC2=CC=CC(=C2)CN3CCCC3

Isomeric SMILES

CC1=NN=C(S1)NC(=O)NCC2=CC=CC(=C2)CN3CCCC3

InChI

InChI=1S/C16H21N5OS/c1-12-19-20-16(23-12)18-15(22)17-10-13-5-4-6-14(9-13)11-21-7-2-3-8-21/h4-6,9H,2-3,7-8,10-11H2,1H3,(H2,17,18,20,22)