1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-4-ylcarbonylamino)thiourea

Systemtic Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-4-ylcarbonylamino)thiourea Openeye Name: 1-[4-(1-piperidylsulfonyl)phenyl]-3-(pyridine-4-carbonylamino)thiourea CAS Name: 1-[[oxo(pyridin-4-yl)methyl]amino]-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridine-4-carbonylamino)thiourea Traditional Name: 1-isonicotinamido-3-(4-piperidinosulfonylphenyl)thiourea Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NNC(=O)C3=CC=NC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H21N5O3S2/c24-17(14-8-10-19-11-9-14)21-22-18(27)20-15-4-6-16(7-5-15)28(25,26)23-12-2-1-3-13-23/h4-11H,1-3,12-13H2,(H,21,24)(H2,20,22,27)