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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2-oxo-1-azepanyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea Traditional Name: 1-[3-(2-ketoazepan-1-yl)propyl]-3-piperonyl-thiourea Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c22-17-5-2-1-3-9-21(17)10-4-8-19-18(25)20-12-14-6-7-15-16(11-14)24-13-23-15/h6-7,11H,1-5,8-10,12-13H2,(H2,19,20,25)