1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-thienylmethyl)thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylmethyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-thenyl)thiourea Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CC3=CC=CS3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CC3=CC=CS3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2S2/c26-21(22-14-16-5-2-1-3-6-16)23(15-18-7-4-12-27-18)17-8-9-19-20(13-17)25-11-10-24-19/h1-9,12-13H,10-11,14-15H2,(H,22,26)