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

Systemtic Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-propan-2-yl-thiourea Openeye Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-isopropyl-thiourea CAS Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-propan-2-ylthiourea IUPAC Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-propan-2-ylthiourea Traditional Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-isopropyl-thiourea Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-15(2)24-22(30)25-23-13-17-14-27(18-6-4-3-5-7-18)26-21(17)16-8-9-19-20(12-16)29-11-10-28-19/h3-9,12-15H,10-11H2,1-2H3,(H2,24,25,30)