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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-piperonyl-3-[(2S)-2-pyrrolidino-2-(2-thienyl)ethyl]thiourea Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)[C@@H](CNC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C19H23N3O2S2/c25-19(20-11-14-5-6-16-17(10-14)24-13-23-16)21-12-15(18-4-3-9-26-18)22-7-1-2-8-22/h3-6,9-10,15H,1-2,7-8,11-13H2,(H2,20,21,25)/t15-/m0/s1