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

Systemtic Name: 1-butyl-3-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]thiourea Openeye Name: 1-butyl-3-[2-(diethylamino)-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-butyl-3-[2-(diethylamino)-5-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-butyl-3-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea Traditional Name: 1-butyl-3-[2-(diethylamino)-5-piperidinosulfonyl-phenyl]thiourea Formula: C20H34N4O2S2 MolecularWeight: 426.63956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N4O2S2/c1-4-7-13-21-20(27)22-18-16-17(11-12-19(18)23(5-2)6-3)28(25,26)24-14-9-8-10-15-24/h11-12,16H,4-10,13-15H2,1-3H3,(H2,21,22,27)