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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-1-(3-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=CN=CC=C3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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