1-(1,3-benzodioxol-5-yl)-3-phenethyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-phenethylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-phenethylthiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-phenethyl-thiourea Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O2S/c21-16(17-9-8-12-4-2-1-3-5-12)18-13-6-7-14-15(10-13)20-11-19-14/h1-7,10H,8-9,11H2,(H2,17,18,21)