1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-3-(3-imidazol-1-ylpropyl)thiourea Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC=CC=C3NC(=S)NCCCN4C=CN=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC=CC=C3NC(=S)NCCCN4C=CN=C4

InChI

InChI=1S/C21H22N4O2S/c28-21(23-8-3-10-25-11-9-22-15-25)24-18-5-2-1-4-17(18)16-6-7-19-20(14-16)27-13-12-26-19/h1-2,4-7,9,11,14-15H,3,8,10,12-13H2,(H2,23,24,28)