1-(4-piperidin-1-ylsulfonylphenyl)-3-[(E)-pyridin-2-ylmethylideneamino]thiourea

Systemtic Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-[(E)-pyridin-2-ylmethylideneamino]thiourea Openeye Name: 1-[4-(1-piperidylsulfonyl)phenyl]-3-[(E)-2-pyridylmethyleneamino]thiourea CAS Name: 1-[4-(1-piperidinylsulfonyl)phenyl]-3-[(E)-2-pyridinylmethylideneamino]thiourea IUPAC Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-[(E)-pyridin-2-ylmethylideneamino]thiourea Traditional Name: 1-(4-piperidinosulfonylphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=CC3=CC=CC=N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N/N=C/C3=CC=CC=N3

InChI

InChI=1S/C18H21N5O2S2/c24-27(25,23-12-4-1-5-13-23)17-9-7-15(8-10-17)21-18(26)22-20-14-16-6-2-3-11-19-16/h2-3,6-11,14H,1,4-5,12-13H2,(H2,21,22,26)/b20-14+