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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-phenyl-2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]thiourea Traditional Name: 1-[(2S)-2-phenyl-2-pyrrolidino-ethyl]-3-piperonyl-thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c27-21(22-13-16-8-9-19-20(12-16)26-15-25-19)23-14-18(24-10-4-5-11-24)17-6-2-1-3-7-17/h1-3,6-9,12,18H,4-5,10-11,13-15H2,(H2,22,23,27)/t18-/m1/s1