1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(2-ketoazepan-1-yl)acetyl]amino]-3-piperonyl-thiourea Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H22N4O4S/c22-15(10-21-7-3-1-2-4-16(21)23)19-20-17(26)18-9-12-5-6-13-14(8-12)25-11-24-13/h5-6,8H,1-4,7,9-11H2,(H,19,22)(H2,18,20,26)