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

Systemtic Name: 1-(2-ethoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(2-ethoxyphenyl)-3-[2-methoxy-4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(2-ethoxyphenyl)-3-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-ethoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-methoxy-4-piperidinosulfonyl-phenyl)-3-o-phenetyl-thiourea Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H27N3O4S2/c1-3-28-19-10-6-5-9-17(19)22-21(29)23-18-12-11-16(15-20(18)27-2)30(25,26)24-13-7-4-8-14-24/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H2,22,23,29)