3-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(E)-3-phenylprop-2-enyl]thiourea

Systemtic Name: 3-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(E)-3-phenylprop-2-enyl]thiourea Openeye Name: 1-[(E)-cinnamyl]-3-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 3-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(E)-3-phenylprop-2-enyl]thiourea IUPAC Name: 3-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(E)-3-phenylprop-2-enyl]thiourea Traditional Name: 1-[(E)-cinnamyl]-3-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N(CC=CC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC1NC(=S)N(C/C=C/C2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O2S/c26-21(22-17-8-9-17)23(12-4-7-16-5-2-1-3-6-16)18-10-11-19-20(15-18)25-14-13-24-19/h1-7,10-11,15,17H,8-9,12-14H2,(H,22,26)/b7-4+