1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)-1-(1-methylpiperidin-4-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-furylmethyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-furanylmethyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(2-furfuryl)-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CO4

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C20H25N3O3S/c1-22-8-6-16(7-9-22)23(20(27)21-12-17-3-2-10-24-17)13-15-4-5-18-19(11-15)26-14-25-18/h2-5,10-11,16H,6-9,12-14H2,1H3,(H,21,27)