1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[[2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-(tetrahydrofurfuryl)thiourea Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCC1CCCO1)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)NNC(=S)NCC1CCCO1)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O5S/c1-10(24-11-4-5-13-14(7-11)23-9-22-13)15(20)18-19-16(25)17-8-12-3-2-6-21-12/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,18,20)(H2,17,19,25)