1-(1,3-benzodioxol-5-ylmethyl)-3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiourea Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-piperonyl-thiourea Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=S)NCC3=CC4=C(C=C3)OCO4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=S)NCC3=CC4=C(C=C3)OCO4)Cl)OC1

InChI

InChI=1S/C19H19ClN2O4S/c20-14-6-13(8-17-18(14)24-5-1-4-23-17)10-22-19(27)21-9-12-2-3-15-16(7-12)26-11-25-15/h2-3,6-8H,1,4-5,9-11H2,(H2,21,22,27)