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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=S)N(CC2=CC=NC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1CCCNC(=S)N(CC2=CC=NC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O3S/c29-21(23-6-1-9-24-10-12-26-13-11-24)25(15-17-4-7-22-8-5-17)18-2-3-19-20(14-18)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,29)