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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethylphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethylphenyl)-1-(2-thenyl)thiourea Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H22N2O2S2/c1-2-16-5-3-6-17(13-16)23-22(27)24(15-19-7-4-12-28-19)18-8-9-20-21(14-18)26-11-10-25-20/h3-9,12-14H,2,10-11,15H2,1H3,(H,23,27)