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

Systemtic Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-ethyl-thiourea Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CCNC(=S)NN=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-2-22-21(29)24-23-13-16-14-26(17-6-4-3-5-7-17)25-20(16)15-8-9-18-19(12-15)28-11-10-27-18/h3-9,12-14H,2,10-11H2,1H3,(H2,22,24,29)