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

Systemtic Name: 1-[[4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-3-phenyl-urea Openeye Name: 1-[[3-allyl-4-(3,4-dimethoxyphenyl)thiazol-3-ium-2-yl]amino]-3-phenyl-urea CAS Name: 1-[[4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]-3-phenylurea IUPAC Name: 1-[[4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-3-phenylurea Traditional Name: 1-[[3-allyl-4-(3,4-dimethoxyphenyl)thiazol-3-ium-2-yl]amino]-3-phenyl-urea Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N4O3S/c1-4-12-25-17(15-10-11-18(27-2)19(13-15)28-3)14-29-21(25)24-23-20(26)22-16-8-6-5-7-9-16/h4-11,13-14H,1,12H2,2-3H3,(H2,22,23,26)/p+1