1-(4-ethanoylphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-acetylphenyl)-3-(2-methoxy-5-piperidinosulfonyl-phenyl)thiourea Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H25N3O4S2/c1-15(25)16-6-8-17(9-7-16)22-21(29)23-19-14-18(10-11-20(19)28-2)30(26,27)24-12-4-3-5-13-24/h6-11,14H,3-5,12-13H2,1-2H3,(H2,22,23,29)