1-[5-(diethylsulfamoyl)-2-piperidin-1-yl-phenyl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-piperidin-1-yl-phenyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-(1-piperidyl)phenyl]-3-(3-pyridyl)thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-(1-piperidinyl)phenyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyridin-3-ylthiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-piperidino-phenyl]-3-(3-pyridyl)thiourea Formula: C21H29N5O2S2 MolecularWeight: 447.61726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=S)NC3=CN=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=S)NC3=CN=CC=C3

InChI

InChI=1S/C21H29N5O2S2/c1-3-26(4-2)30(27,28)18-10-11-20(25-13-6-5-7-14-25)19(15-18)24-21(29)23-17-9-8-12-22-16-17/h8-12,15-16H,3-7,13-14H2,1-2H3,(H2,23,24,29)