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

Systemtic Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-(2-methoxyethyl)thiourea CAS Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-(2-methoxyethyl)thiourea Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3S/c1-28-10-9-23-22(31)25-24-14-17-15-27(18-5-3-2-4-6-18)26-21(17)16-7-8-19-20(13-16)30-12-11-29-19/h2-8,13-15H,9-12H2,1H3,(H2,23,25,31)