1-(1,3-benzodioxol-5-ylmethyl)-3-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3R)-1-benzylpyrrolidin-3-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3R)-1-benzylpyrrolidin-3-yl]thiourea Traditional Name: 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-piperonyl-thiourea Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=S)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@@H]1NC(=S)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O2S/c26-20(21-11-16-6-7-18-19(10-16)25-14-24-18)22-17-8-9-23(13-17)12-15-4-2-1-3-5-15/h1-7,10,17H,8-9,11-14H2,(H2,21,22,26)/t17-/m1/s1