1-(1,3-benzodioxol-5-yl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-benzylsulfanylethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(phenylmethylthio)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-benzylsulfanylethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(benzylthio)ethyl]thiourea Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O2S2/c22-17(18-8-9-23-11-13-4-2-1-3-5-13)19-14-6-7-15-16(10-14)21-12-20-15/h1-7,10H,8-9,11-12H2,(H2,18,19,22)