1-(4-piperidin-1-ylsulfonylphenyl)-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea

Systemtic Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea Openeye Name: 1-[4-(1-piperidylsulfonyl)phenyl]-3-[(Z)-(3,4,5-trimethoxyphenyl)methyleneamino]thiourea CAS Name: 1-[4-(1-piperidinylsulfonyl)phenyl]-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea Traditional Name: 1-(4-piperidinosulfonylphenyl)-3-[(Z)-(3,4,5-trimethoxybenzylidene)amino]thiourea Formula: C22H28N4O5S2 MolecularWeight: 492.61152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=N\NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N4O5S2/c1-29-19-13-16(14-20(30-2)21(19)31-3)15-23-25-22(32)24-17-7-9-18(10-8-17)33(27,28)26-11-5-4-6-12-26/h7-10,13-15H,4-6,11-12H2,1-3H3,(H2,24,25,32)/b23-15-