1-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-3-phenyl-urea

Systemtic Name: 1-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-3-phenyl-urea Openeye Name: 1-[[3-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-3-ium-2-yl]amino]-3-phenyl-urea CAS Name: 1-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]-3-phenylurea IUPAC Name: 1-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-3-phenylurea Traditional Name: 1-[[3-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-3-ium-2-yl]amino]-3-phenyl-urea Formula: C21H21N4O3S+ MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC=C1C2=CC3=C(C=C2)OCCO3)NNC(=O)NC4=CC=CC=C4

Isomeric SMILES

C=CC[N+]1=C(SC=C1C2=CC3=C(C=C2)OCCO3)NNC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-2-10-25-17(15-8-9-18-19(13-15)28-12-11-27-18)14-29-21(25)24-23-20(26)22-16-6-4-3-5-7-16/h2-9,13-14H,1,10-12H2,(H2,22,23,26)/p+1