1-(1,3-benzodioxol-5-yl)-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-benzyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(phenylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-benzyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-benzyl-1-(3-pyridylmethyl)thiourea Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c27-21(23-13-16-5-2-1-3-6-16)24(14-17-7-4-10-22-12-17)18-8-9-19-20(11-18)26-15-25-19/h1-12H,13-15H2,(H,23,27)