1-(2-cyanoethyl)-1-(phenylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-(phenylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(2-cyanoethyl)-1-(phenylmethyl)-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-(4-piperidinosulfonylphenyl)thiourea Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N(CCC#N)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N(CCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S2/c23-14-7-15-25(18-19-8-3-1-4-9-19)22(29)24-20-10-12-21(13-11-20)30(27,28)26-16-5-2-6-17-26/h1,3-4,8-13H,2,5-7,15-18H2,(H,24,29)