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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-1-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-1-(4-pyridylmethyl)thiourea Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N(CC3=CC=NC=C3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N(CC3=CC=NC=C3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c28-22(24-13-10-17-4-2-1-3-5-17)25(15-18-8-11-23-12-9-18)19-6-7-20-21(14-19)27-16-26-20/h1-9,11-12,14H,10,13,15-16H2,(H,24,28)