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

Systemtic Name: 1-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-3-(2-furylmethyl)thiourea CAS Name: 1-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-3-(2-furfuryl)thiourea Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC3=CC=CO3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C19H26N4O3S2/c1-22(2)18-9-8-16(28(24,25)23-10-4-3-5-11-23)13-17(18)21-19(27)20-14-15-7-6-12-26-15/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H2,20,21,27)