1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1-(3-pyridylmethyl)thiourea Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-21-8-7-19-17(24)20(11-13-3-2-6-18-10-13)14-4-5-15-16(9-14)23-12-22-15/h2-6,9-10H,7-8,11-12H2,1H3,(H,19,24)