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

Systemtic Name: 1-butyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]thiourea Openeye Name: 1-butyl-3-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-butyl-3-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-butyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea Traditional Name: 1-butyl-3-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]thiourea Formula: C18H30N4O2S2 MolecularWeight: 398.5864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O2S2/c1-4-5-11-19-18(25)20-16-14-15(9-10-17(16)21(2)3)26(23,24)22-12-7-6-8-13-22/h9-10,14H,4-8,11-13H2,1-3H3,(H2,19,20,25)