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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-ethyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-ethyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-ethyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-ethyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-ethyl-1-(3-pyridylmethyl)thiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC1=CN=CC=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCNC(=S)N(CC1=CN=CC=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17N3O2S/c1-2-18-16(22)19(10-12-4-3-7-17-9-12)13-5-6-14-15(8-13)21-11-20-14/h3-9H,2,10-11H2,1H3,(H,18,22)