1-(2-ethyl-6-methyl-phenyl)-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carbonyl)amino]thiourea Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC3=C(C(=C2)OC)OCCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC3=C(C(=C2)OC)OCCO3)C

InChI

InChI=1S/C20H23N3O4S/c1-4-13-7-5-6-12(2)17(13)21-20(28)23-22-19(24)14-10-15(25-3)18-16(11-14)26-8-9-27-18/h5-7,10-11H,4,8-9H2,1-3H3,(H,22,24)(H2,21,23,28)