1-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[2-methyl-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-5-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-5-piperidinosulfonyl-phenyl)thiourea Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O3S2/c1-17-6-11-20(30(26,27)25-14-4-3-5-15-25)16-21(17)24-22(29)23-13-12-18-7-9-19(28-2)10-8-18/h6-11,16H,3-5,12-15H2,1-2H3,(H2,23,24,29)