1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2-oxo-1-pyrrolidinyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea Traditional Name: 1-[3-(2-ketopyrrolidino)propyl]-3-piperonyl-thiourea Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O3S/c20-15-3-1-7-19(15)8-2-6-17-16(23)18-10-12-4-5-13-14(9-12)22-11-21-13/h4-5,9H,1-3,6-8,10-11H2,(H2,17,18,23)