1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea Traditional Name: 1-(1-phenyl-2-pyrazolin-3-yl)-3-piperonyl-thiourea Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1NC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(N=C1NC(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O2S/c25-18(19-11-13-6-7-15-16(10-13)24-12-23-15)20-17-8-9-22(21-17)14-4-2-1-3-5-14/h1-7,10H,8-9,11-12H2,(H2,19,20,21,25)