1-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-3-(2-methylallyl)thiourea CAS Name: 1-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-3-(2-methylallyl)thiourea Formula: C18H28N4O2S2 MolecularWeight: 396.57052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N(C)C

Isomeric SMILES

CC(=C)CNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N(C)C

InChI

InChI=1S/C18H28N4O2S2/c1-14(2)13-19-18(25)20-16-12-15(8-9-17(16)21(3)4)26(23,24)22-10-6-5-7-11-22/h8-9,12H,1,5-7,10-11,13H2,2-4H3,(H2,19,20,25)