1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-furylmethyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-furanylmethyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-furfuryl)-1-(4-pyridylmethyl)thiourea Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N(CC3=CC=NC=C3)C(=S)NCC4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N(CC3=CC=NC=C3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C19H17N3O3S/c26-19(21-11-16-2-1-9-23-16)22(12-14-5-7-20-8-6-14)15-3-4-17-18(10-15)25-13-24-17/h1-10H,11-13H2,(H,21,26)