1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-benzyl-3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=NNC(=S)NCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=NNC(=S)NCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N5O2S/c34-26(27-16-19-7-3-1-4-8-19)29-28-17-21-18-31(22-9-5-2-6-10-22)30-25(21)20-11-12-23-24(15-20)33-14-13-32-23/h1-12,15,17-18H,13-14,16H2,(H2,27,29,34)