1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-(2-furyl)-2-(1-piperidyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-(2-furanyl)-2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea Traditional Name: 1-[(2S)-2-(2-furyl)-2-piperidino-ethyl]-3-piperonyl-thiourea Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)[C@@H](CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CO4

InChI

InChI=1S/C20H25N3O3S/c27-20(21-12-15-6-7-18-19(11-15)26-14-25-18)22-13-16(17-5-4-10-24-17)23-8-2-1-3-9-23/h4-7,10-11,16H,1-3,8-9,12-14H2,(H2,21,22,27)/t16-/m0/s1