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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N(CC2=CC=NC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(CC2=CC=NC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O2S/c1-2-16-4-3-5-18(12-16)24-22(28)25(14-17-8-10-23-11-9-17)19-6-7-20-21(13-19)27-15-26-20/h3-13H,2,14-15H2,1H3,(H,24,28)