1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-pyridylmethyl)thiourea Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C18H18N4O2S/c19-6-2-8-22(13-14-3-1-7-20-12-14)18(25)21-15-4-5-16-17(11-15)24-10-9-23-16/h1,3-5,7,11-12H,2,8-10,13H2,(H,21,25)